Details of the Researcher

PHOTO

Asuka Fujii
Section
Graduate School of Science
Job title
Professor
Degree

  • 博士（理学）（東北大学）

e-Rad No.
50218963

Research History 7

  • 2019/05 - Present
    東北大学 大学院理学研究科 化学専攻　教授

  • 2004/04 - 2019/04
    Department of Chemistry, Graduate School of Science　助教授

  • 2006/09 - 2006/12
    Laboratoire de Photophysique Moleculaire, Universite Paris-Sud

  • 1995/04 - 2004/03
    東北大学 大学院理学研究科 化学専攻　助手

  • 1996/04 - 1997/03
    Institute for atomic and molecular sciences, Academia Sinica,Taiwan　Visiting scientist

  • 1993/09 - 1995/03
    東北大学 理学部 化学科　助手

  • 1989/09 - 1993/08
    岡崎国立共同研究機構 分子科学研究所　助手

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Education 2

  • Tohoku University　Graduate School, Division of Natural Science　化学専攻

    - 1989/08

  • Tohoku University　Faculty of Science　化学第二学科

    - 1987/03

Committee Memberships 9

  • 分子科学会　幹事

    2016/09 - 2020/08

  • 日本化学会　東北支部幹事長

    2013/02 - 2014/02

  • 日本化学会　東北支部幹事長

    2013/02 - 2014/02

  • 日本化学会　東北支部幹事

    2012/02 - 2013/02

  • 日本化学会　東北支部幹事

    2012/02 - 2013/02

  • 分子科学会　運営委員

    2008/08 - 2012/08

  • 分子科学会　運営委員

    2008/08 - 2012/08

  • 分子科学会　第１回分子科学討論会実行委員会委員

    2007/09 -

  • 分子科学会　第１回分子科学討論会実行委員会委員

    2007/09 -

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Professional Memberships 4

  • 日本分光学会

  • 日本物理学会

  • 分子科学会

  • 日本化学会

Research Interests 2

  • Cluster

  • Laser molecular spectroscopy

Research Areas 1

  • Nanotechnology/Materials / Basic physical chemistry /

Awards 3

  1. International Investigator Awards of the Japan Society for Molecular Science

    2016/09/13　分子科学会

  2. 第３６回科学計測振興会賞

    2004/02/06　科学計測振興会

  3. 日本化学会進歩賞

    1998/03　日本化学会

Papers 156

  1. Isolation and Infrared Spectroscopic Characterization of Hemibonded Water Dimer Cation in Superfluid Helium Nanodroplets

    Arisa Iguchi, Amandeep Singh, Stefan Bergmeister, Andrew A. Azhagesan, Kenta Mizuse, Asuka Fujii, Hajime Tanuma, Toshiyuki Azuma, Paul Scheier, Susumu Kuma, Andrey F. Vilesov

    The Journal of Physical Chemistry Letters　8199-8204　2023/09/06

    Publisher: American Chemical Society (ACS)

    DOI： 10.1021/acs.jpclett.3c02150 　

    ISSN： 1948-7185

    eISSN： 1948-7185

  2. Infrared Spectroscopy and Anharmonic Vibrational Analysis of (H2O-Krn)+(n = 1-3): Hemibond Formation of the Water Radical Cation

    Jing-Min Liu, Tomoki Nishigori, Toshihiko Maeyama, Qian-Rui Huang, Marusu Katada, Jer-Lai Kuo, Asuka Fujii

    Journal of Physical Chemistry Letters　12　(33)　7997-8002　2021/08/26

    Publisher: American Chemical Society

    DOI： 10.1021/acs.jpclett.1c02164 　

    ISSN： 1948-7185

  3. Anharmonic coupling revealed by the vibrational spectra of solvated protonated methanol: Fermi resonance, combination bands, and isotope effect

    Chih Kai Lin, Jer Lai Kuo, Asuka Fujii, Qian Rui Huang, Ying Cheng Li, Ha Quyen Nguyen

    Journal of Physical Chemistry A　125　(9)　1910-1918　2021/03/11

    DOI： 10.1021/acs.jpca.1c00068 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  4. Understanding Fermi resonances in the complex vibrational spectra of the methyl groups in methylamines

    Qian Rui Huang, Tomoya Endo, Saurabh Mishra, Bingbing Zhang, Li Wei Chen, Asuka Fujii, Ling Jiang, G. Naresh Patwari, Yoshiyuki Matsuda, Jer Lai Kuo

    Physical Chemistry Chemical Physics　23　(6)　3739-3747　2021/02/14

    DOI： 10.1039/d0cp05745b 　

    ISSN： 1463-9076

  5. Strong Fermi Resonance Associated with Proton Motions Revealed by Vibrational Spectra of Asymmetric Proton-Bound Dimers

    Qian Rui Huang, Ryunosuke Shishido, Chih Kai Lin, Chen Wei Tsai, Jake A. Tan, Asuka Fujii, Jer Lai Kuo

    Angewandte Chemie - International Edition　60　(4)　1936-1941　2021/01/25

    DOI： 10.1002/anie.202012665 　

    ISSN： 1433-7851

    eISSN： 1521-3773

  6. Understanding Fermi resonances behind the complex vibrational spectra of the methyl groups in simple alcohol, thiol, and their ethers

    Qian-Rui Huang, Yoshiyuki Matsuda, Riku Eguchi, Asuka Fujii, Jer-Lai Kuo

    Journal of the Chinese Chemical Society　2021

    Publisher: Chinese Chemical Society Taiwan

    DOI： 10.1002/jccs.202100281 　

    ISSN： 2192-6549 0009-4536

  7. Cooperativity of the Activated CH/π Interaction Probed through CH Stretching Vibrations in Phenol−(Acetylene)n (∼16 ≤ n ≤ ∼30) and (Acetylene)n + (10 ≤ n ≤ 70) Clusters

    Takashi Chiba, Marusu Katada, Asuka Fujii

    Journal of Physical Chemistry A　2021

    DOI： 10.1021/acs.jpca.1c01827 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  8. Vibrational Coupling in Solvated H<inf>3</inf>O+: Interplay between Fermi Resonance and Combination Band

    Qian Rui Huang, Ying Cheng Li, Tomoki Nishigori, Marusu Katada, Asuka Fujii, Jer Lai Kuo

    Journal of Physical Chemistry Letters　11　(23)　10067-10072　2020/12/03

    DOI： 10.1021/acs.jpclett.0c03059 　

    eISSN： 1948-7185

  9. Vibrational spectroscopy of protonated amine-water clusters: Tuning Fermi resonance and lighting up dark states

    Chih Kai Lin, Ryunosuke Shishido, Qian Rui Huang, Asuka Fujii, Jer Lai Kuo

    Physical Chemistry Chemical Physics　22　(38)　22035-22046　2020/10/14

    DOI： 10.1039/d0cp03229h 　

    ISSN： 1463-9076

  10. Infrared spectroscopic observation of the McLafferty rearrangement in ionized 2-pentanone

    Ryo Yasumoto, Yoshiyuki Matsuda, Asuka Fujii

    Physical Chemistry Chemical Physics　22　(34)　19230-19237　2020/09/14

    DOI： 10.1039/d0cp02602f 　

    ISSN： 1463-9076

  11. Effects of mixing between short-chain and branched-chain alcohols in protonated clusters

    Po Jen Hsu, Takahiro Shinkai, Pei Han Tai, Asuka Fujii, Jer Lai Kuo

    Physical Chemistry Chemical Physics　22　(23)　13223-13239　2020/06/21

    DOI： 10.1039/d0cp01116a 　

    ISSN： 1463-9076

  12. Migrations and Catalytic Action of Water Molecules in the Ionized Formamide-(H<inf>2</inf>O)<inf>2</inf> Cluster

    Yoshiyuki Matsuda, Yutaro Hirano, Shinichi Mizutani, Daichi Sakai, Asuka Fujii, Satoshi Maeda, Koichi Ohno

    Journal of Physical Chemistry A　124　(14)　2802-2807　2020/04

    DOI： 10.1021/acs.jpca.0c00637 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  13. Electronic and Infrared Spectroscopy of Benzene-(H<inf>2</inf>S) <inf>n</inf> (n = 1 and 2): The Prototype of the SH-πInteraction

    Dandan Wang, Pragya Chopra, Sanjay Wategaonkar, Asuka Fujii

    Journal of Physical Chemistry A　123　(33)　7255-7260　2019/08/22

    DOI： 10.1021/acs.jpca.9b02199 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  14. Infrared Spectroscopic Study on Trimethyl Amine Radical Cation: Correlation between Proton-Donating Ability and Structural Deformation

    Tomoya Endo, Yoshiyuki Matsuda, Shohei Moriyama, Asuka Fujii

    Journal of Physical Chemistry A　123　(28)　5945-5950　2019/06/27

    DOI： 10.1021/acs.jpca.9b01261 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  15. IR Spectroscopic Investigation on Isomerization of Ionized Ethylene Glycol

    Yoshiyuki Matsuda, Ayumu Matsuura, Takahiro Kamiyama, Asuka Fujii

    Journal of Physical Chemistry A　123　(24)　5122-5128　2019/06/20

    DOI： 10.1021/acs.jpca.9b02591 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  16. Effects of solvent molecules on hemi-bonded (CH<inf>3</inf>SH)<inf>2</inf>+: Infrared absorption of [(CH<inf>3</inf>SH)<inf>2</inf>-X]+ with X = H<inf>2</inf>O, (CH<inf>3</inf>)<inf>2</inf>CO, or NH<inf>3</inf> and (CH<inf>3</inf>SH)<inf>:N</inf>+ (n = 3-6)

    Min Xie, Huei Ru Tsai, Asuka Fujii, Yuan Pern Lee

    Physical Chemistry Chemical Physics　21　(29)　16055-16063　2019

    DOI： 10.1039/c9cp03158h 　

    ISSN： 1463-9076

  17. Influence of the microsolvation on hemibonded and protonated hydrogen sulfide: Infrared spectroscopy of [(H<inf>2</inf>S)<inf>:N</inf>(X)<inf>1</inf>]+ and H+(H<inf>2</inf>S)<inf>n</inf>(X)<inf>1</inf> (n = 1 and 2, X = water, methanol, and ethanol)

    Keigo Hattori, Dandan Wang, Asuka Fujii

    Physical Chemistry Chemical Physics　21　(29)　16064-16074　2019

    DOI： 10.1039/c9cp03159f 　

    ISSN： 1463-9076

  18. The S∴π hemibond and its competition with the S∴S hemibond in the simplest model system: Infrared spectroscopy of the [benzene-(H<inf>2</inf>S)<inf>n</inf>]+ (n = 1-4) radical cation clusters

    Dandan Wang, Keigo Hattori, Asuka Fujii

    Chemical Science　10　(30)　7260-7268　2019

    DOI： 10.1039/c9sc02476j 　

    ISSN： 2041-6520

    eISSN： 2041-6539

  19. Spectral Characterization of Three-Electron Two-Center (3e-2c) Bonds of Gaseous CH<inf>3</inf>S-S(H)CH<inf>3</inf> and (CH<inf>3</inf>SH)<inf>2</inf>+ and Enhancement of the 3e-2c Bond upon Protonation

    Min Xie, Zhitao Shen, Dandan Wang, Asuka Fujii, Yuan Pern Lee

    Journal of Physical Chemistry Letters　9　(13)　3725-3730　2018/07/05

    DOI： 10.1021/acs.jpclett.8b01491 　

    eISSN： 1948-7185

  20. Infrared Spectroscopy of Protonated Phenol-Water Clusters

    Marusu Katada, Asuka Fujii

    Journal of Physical Chemistry A　122　(27)　5822-5831　2018/05/10

    DOI： 10.1021/acs.jpca.8b04446 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  21. An infrared spectroscopic study on proton transfer from CH bonds in ionized dimers of cyclic ethers

    Min Xie, Yoshiyuki Matsuda, Asuka Fujii

    Journal of Chemical Physics　148　(9)　2018/03/07

    DOI： 10.1063/1.5018639 　

    ISSN： 0021-9606

  22. Hydrogen bond network structures of protonated short-chain alcohol clusters

    Asuka Fujii, Natsuko Sugawara, Po Jen Hsu, Takuto Shimamori, Ying Cheng Li, Toru Hamashima, Jer Lai Kuo

    Physical Chemistry Chemical Physics　20　(22)　14971-14991　2018

    DOI： 10.1039/c7cp08072g 　

    ISSN： 1463-9076

  23. Fermi resonance in solvated H<inf>3</inf>O+: A counter-intuitive trend confirmed: Via a joint experimental and theoretical investigation

    Qian Rui Huang, Tomoki Nishigori, Marusu Katada, Asuka Fujii, Jer Lai Kuo

    Physical Chemistry Chemical Physics　20　(20)　13836-13844　2018

    DOI： 10.1039/c8cp02151a 　

    ISSN： 1463-9076

  24. Competition between hydrogen bonds and van der Waals forces in intermolecular structure formation of protonated branched-chain alcohol clusters

    Natsuko Sugawara, Po Jen Hsu, Asuka Fujii, Jer Lai Kuo

    Physical Chemistry Chemical Physics　20　(39)　25482-25494　2018

    DOI： 10.1039/c8cp05222k 　

    ISSN： 1463-9076

  25. An integrated experimental and theoretical reaction path search: Analyses of the multistage reaction of an ionized diethylether dimer involving isomerization, proton transfer, and dissociation

    Yoshiyuki Matsuda, Min Xie, Asuka Fujii

    Physical Chemistry Chemical Physics　20　(21)　14331-14338　2018

    DOI： 10.1039/c7cp08566d 　

    ISSN： 1463-9076

  26. Infrared spectroscopic study of the acidic CH bonds in hydrated clusters of cationic pentane Peer-reviewed

    Tomoya Endo, Yoshiyuki Matsuda, Asuka Fujii

    Journal of Physical Chemistry Letters　8　(19)　4716-4719　2017/10/05

    DOI： 10.1021/acs.jpclett.7b02282 　

    ISSN： 1948-7185

    eISSN： 1948-7185

  27. Temperature and Size Dependence of Characteristic Hydrogen-Bonded Network Structures with Ion Core Switching in Protonated (Methanol)<inf>6-10</inf>-(Water)<inf>1</inf> Mixed Clusters: A Revisit Peer-reviewed

    Marusu Katada, Po Jen Hsu, Asuka Fujii, Jer Lai Kuo

    Journal of Physical Chemistry A　121　(29)　5399-5413　2017/07/27

    DOI： 10.1021/acs.jpca.7b03762 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  28. Effects of Alkyl Groups on Excess-Electron Binding to Small-Sized Secondary Amide Clusters: A Combined Experimental and Computational Study Peer-reviewed

    Toshihiko Maeyama, Takuto Shimamori, Asuka Fujii

    Journal of Physical Chemistry A　121　(23)　4397-4403　2017/06/15

    DOI： 10.1021/acs.jpca.6b10970 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  29. A combined theoretical and experimental study of phenol-(acetylene)<inf>n</inf> (n ≤ 7) clusters Peer-reviewed

    Gurmeet Singh, Apurba Nandi, Shridhar R. Gadre, Takashi Chiba, Asuka Fujii

    Journal of Chemical Physics　146　(15)　154303　2017/04

    DOI： 10.1063/1.4979953 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  30. Structures of protonated hydrogen sulfide clusters, H+(H<inf>2</inf>S)<inf>: N</inf>, highlighting the nature of sulfur-centered intermolecular interactions Peer-reviewed

    Dandan Wang, Asuka Fujii

    Physical Chemistry Chemical Physics　19　(3)　2036-2043　2017

    DOI： 10.1039/c6cp07342e 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  31. Spectroscopic observation of two-center three-electron bonded (hemi-bonded) structures of (H<inf>2</inf>S)<inf>n</inf>+ clusters in the gas phase Peer-reviewed

    Dandan Wang, Asuka Fujii

    Chemical Science　8　(4)　2667-2670　2017

    DOI： 10.1039/c6sc05361k 　

    ISSN： 2041-6520

    eISSN： 2041-6539

  32. Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule Peer-reviewed

    Marusu Katada, Asuka Fujii

    Chemical Physics Letters　684　368-372　2017

    DOI： 10.1016/j.cplett.2017.07.028 　

    ISSN： 0009-2614

    eISSN： 1873-4448

  33. Stepwise internal energy change of protonated methanol clusters by using the inert gas tagging Peer-reviewed

    Takuto Shimamori, Jer Lai Kuo, Asuka Fujii

    Journal of Physical Chemistry A　120　(46)　9203-9208　2016/11/23

    DOI： 10.1021/acs.jpca.6b10140 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  34. Infrared Spectroscopic Investigation of the Acidic CH Bonds in Cationic n-Alkanes: Pentane, Hexane, and Heptane Peer-reviewed

    Min Xie, Yoshiyuki Matsuda, Asuka Fujii

    Journal of Physical Chemistry A　120　(32)　6351-6356　2016/08/18

    DOI： 10.1021/acs.jpca.6b05567 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  35. Observation of Evidence for the π-σ∗ Hyperconjugation in the S<inf>1</inf> State of o-, m-, and p-Fluorotoluenes by Double-Resonance Infrared Spectroscopy Peer-reviewed

    Takashi Chiba, Katsuhiko Okuyama, Asuka Fujii

    Journal of Physical Chemistry A　120　(28)　5573-5580　2016/07/21

    DOI： 10.1021/acs.jpca.6b05171 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  36. An ab initio anharmonic approach to study vibrational spectra of small ammonia clusters Peer-reviewed

    Kun-Lin Ho, Lo-Yun Lee, Marusu Katada, Asuka Fujii, Jer-Lai Kuo

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　18　(44)　30498-30506　2016

    DOI： 10.1039/c6cp05537k 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  37. Infrared spectroscopic investigations of cationic ethanol, propanol, and butanol Peer-reviewed

    Yoshiyuki Matsuda, Hiroyuki Harigaya, Min Xie, Kaito Takahashi, Asuka Fujii

    Chemical Physics Letters　640　215-218　2015/11/01

    DOI： 10.1016/j.cplett.2015.10.044 　

    ISSN： 0009-2614

    eISSN： 1873-4448

  38. Infrared Spectroscopic Investigation of Photoionization-Induced Acidic C-H Bonds in Cyclic Ethers Peer-reviewed

    Min Xie, Yoshiyuki Matsuda, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　119　(22)　5668-5675　2015/06

    DOI： 10.1021/acs.jpca.5b03406 　

    ISSN： 1089-5639

  39. The Large Variation in Acidity of Diethyl Ether Cation Induced by Internal Rotation about a Single Covalent Bond Peer-reviewed

    Yoshiyuki Matsuda, Tomoya Endo, Naohiko Mikami, Asuka Fujii, Masato Morita, Kaito Takahashi

    JOURNAL OF PHYSICAL CHEMISTRY A　119　(20)　4885-4890　2015/05

    DOI： 10.1021/acs.jpca.5b02604 　

    ISSN： 1089-5639

  40. Photodetachment Spectroscopy of Fluorenone Radical Anions Microsolvated with Methanol: Rationalizing the Anomalous Solvatochromic Behavior Due to Hydrogen Bonding Peer-reviewed

    Toshihiko Maeyama, Izumi Yagi, Keiji Yoshida, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　119　(16)　3721-3730　2015/04

    DOI： 10.1021/acs.jpca.5b01147 　

    ISSN： 1089-5639

  41. Acid-Base Formalism in Dispersion-Stabilized S-H center dot center dot center dot Y (Y=O,S) Hydrogen-Bonding Interactions Peer-reviewed

    Aditi Bhattacherjee, Yoshiyuki Matsuda, Asuka Fujii, Sanjay Wategaonkar

    JOURNAL OF PHYSICAL CHEMISTRY A　119　(7)　1117-1126　2015/02

    DOI： 10.1021/jp511904a 　

    ISSN： 1089-5639

  42. Infrared Spectroscopy of Warm and Neutral Phenol-Water Clusters Peer-reviewed

    Takuto Shimamori, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　119　(8)　1315-1322　2015/02

    DOI： 10.1021/jp512495v 　

    ISSN： 1089-5639

  43. Hyperconjugation in diethyl ether cation versus diethyl sulfide cation Peer-reviewed

    Masato Morita, Yoshiyuki Matsuda, Tomoya Endo, Naohiko Mikami, Asuka Fujii, Kaito Takahashi

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　17　(36)　23602-23612　2015

    DOI： 10.1039/c5cp03765d 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  44. An infrared spectroscopic and theoretical study on (CH3)(3)N-H+-(H2O)(n), n=1-22: highly polarized hydrogen bond networks of hydrated clusters Invited Peer-reviewed

    Ryunosuke Shishido, Ying-Cheng Li, Chen-Wei Tsai, Dan Bing, Asuka Fujii, Jer-Lai Kuo

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　17　(39)　25863-25876　2015

    DOI： 10.1039/c5cp01487e 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  45. Hydrogen-bonded ring closing and opening of protonated methanol clusters H+(CH3OH)(n) (n=4-8) with the inert gas tagging Peer-reviewed

    Ying-Cheng Li, Toru Hamashima, Ryoko Yamazaki, Tomohiro Kobayashi, Yuta Suzuki, Kenta Mizuse, Asuka Fujii, Jer-Lai Kuo

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　17　(34)　22042-22053　2015

    DOI： 10.1039/c5cp03379a 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  46. Infrared Spectroscopy of Protonated Trimethylamine-(Benzene)(n) (n=1-4) as Model Clusters of the Quaternary Ammonium-Aromatic Ring Interaction Peer-reviewed

    Ryunosuke Shishido, Yuki Kawai, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　118　(35)　7297-7305　2014/09

    DOI： 10.1021/jp4115157 　

    ISSN： 1089-5639

  47. Infrared spectroscopy of large-sized neutral and protonated ammonia clusters Peer-reviewed

    Marusu Katada, Ryunosuke Shishido, Asuka Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　16　(16)　7595-7601　2014

    DOI： 10.1039/c4cp00178h 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  48. Isomer-selective infrared spectroscopy of the cationic trimethylamine dimer to reveal its charge sharing and enhanced acidity of the methyl groups Peer-reviewed

    Yoshiyuki Matsuda, Yuichiro Nakayama, Naohiko Mikami, Asuka Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　16　(20)　9619-9624　2014

    DOI： 10.1039/c4cp00659c 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  49. Proton location in (CH3)(3)N-H+-(CH3OH)(n): A theoretical and infrared spectroscopic study Peer-reviewed

    Dan Bing, Toru Hamashima, Chen-Wei Tsai, Asuka Fujii, Jer-Lai Kuo

    CHEMICAL PHYSICS　421　1-9　2013/06

    DOI： 10.1016/j.chemphys.2013.05.009 　

    ISSN： 0301-0104

  50. Infrared spectroscopic studies on hydrogen-bonded water networks in gas phase clusters Invited Peer-reviewed

    Asuka Fujii, Kenta Mizuse

    INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY　32　(2)　266-307　2013/06

    DOI： 10.1080/0144235X.2012.760836 　

    ISSN： 0144-235X

    eISSN： 1366-591X

  51. The Intermolecular S-H center dot center dot center dot Y (Y=S,O) Hydrogen Bond in the H2S Dimer and the H2S-MeOH Complex Peer-reviewed

    Aditi Bhattacherjee, Yoshiyuki Matsuda, Asuka Fujii, Sanjay Wategaonkar

    CHEMPHYSCHEM　14　(5)　905-914　2013/04

    DOI： 10.1002/cphc.201201012 　

    ISSN： 1439-4235

    eISSN： 1439-7641

  52. Characterization of a Solvent-Separated Ion-Radical Pair in Cationized Water Networks: Infrared Photodissociation and Ar-Attachment Experiments for Water Cluster Radical Cations (H2O)(n)(+) (n=3-8) Peer-reviewed

    Kenta Mizuse, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　117　(5)　929-938　2013/02

    DOI： 10.1021/jp311909h 　

    ISSN： 1089-5639

  53. Folding of the Hydrogen Bond Network of H+(CH3OH)(7) with Rare Gas Tagging Peer-reviewed

    Toru Hamashima, Ying-Cheng Li, Michael C. H. Wu, Kenta Mizuse, Tomohiro Kobayashi, Asuka Fujii, Jer-Lai Kuo

    JOURNAL OF PHYSICAL CHEMISTRY A　117　(1)　101-107　2013/01

    DOI： 10.1021/jp3114545 　

    ISSN： 1089-5639

  54. Structures of hydrogen bond networks formed by a few tens of methanol molecules in the gas phase: size-selective infrared spectroscopy of neutral and protonated methanol clusters Peer-reviewed

    Tomohiro Kobayashi, Ryunosuke Shishido, Kenta Mizuse, Asuka Fujii, Jer-Lai Kuo

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　15　(24)　9523-9530　2013

    DOI： 10.1039/c3cp50985k 　

    ISSN： 1463-9076

  55. Infrared spectroscopy of large protonated water clusters H +(H2O)20-50 cooled by inert gas attachment Peer-reviewed

    Kenta Mizuse, Asuka Fujii

    Chemical Physics　419　2-7　2013

    Publisher: Elsevier B.V.

    DOI： 10.1016/j.chemphys.2012.07.012 　

    ISSN： 0301-0104

  56. Preference of the monodentate contact in the CH/pi interaction between an alkyl group and a single phenyl ring: Stable structures of benzene-ethane clusters Peer-reviewed

    Asuka Fujii, Hiromasa Hayashi, Seiji Tsuzuki

    CHEMICAL PHYSICS LETTERS　537　11-15　2012/06

    DOI： 10.1016/j.cplett.2012.04.005 　

    ISSN： 0009-2614

  57. Structures and Dissociation Channels of Protonated Mixed Clusters around a Small Magic Number: Infrared Spectroscopy of ((CH3)(3)N)(n)-H+-H2O (n=1-3) Peer-reviewed

    Ryunosuke Shishido, Jer-Lai Kuo, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　116　(25)　6740-6749　2012/06

    DOI： 10.1021/jp0261441 　

    ISSN： 1089-5639

  58. Tuning of the Internal Energy and Isomer Distribution in Small Protonated Water Clusters H+(H2O)(4-8): An Application of the Inert Gas Messenger Technique Peer-reviewed

    Kenta Mizuse, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　116　(20)　4868-4877　2012/05

    DOI： 10.1021/jp302030d 　

    ISSN： 1089-5639

  59. Size-Dependent Metamorphosis of Electron Binding Motif in Cluster Anions of Primary Amide Molecules Peer-reviewed

    Toshihiko Maeyama, Keiji Yoshida, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　116　(15)　3771-3780　2012/04

    DOI： 10.1021/jp204621x 　

    ISSN： 1089-5639

  60. Experimental and theoretical investigations of isomerization reactions of ionized acetone and its dimer Peer-reviewed

    Yoshiyuki Matsuda, Kunihito Hoki, Satoshi Maeda, Ken-ichi Hanaue, Keisuke Ohta, Keiji Morokuma, Naohiko Mikami, Asuka Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　14　(2)　712-719　2012

    DOI： 10.1039/c1cp22953b 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  61. Solvation-Induced sigma-Complex Structure Formation in the Gas Phase: A Revisit to the Infrared Spectroscopy of [C6H6-(CH3OH)(2)](+) Peer-reviewed

    Kenta Mizuse, Yuta Suzuki, Naohiko Mikami, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　115　(41)　11156-11161　2011/10

    DOI： 10.1021/jp202680x 　

    ISSN： 1089-5639

  62. Structural Origin of the Antimagic Number in Protonated Water Clusters H+(H2O)(n): Spectroscopic Observation of the "Missing" Water Molecule in the Outermost Hydration Shell Peer-reviewed

    Kenta Mizuse, Asuka Fuji

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS　2　(17)　2130-2134　2011/09

    DOI： 10.1021/jz200996q 　

    ISSN： 1948-7185

  63. Spectral Signatures of Four-Coordinated Sites in Water Clusters: Infrared Spectroscopy of Phenol-(H2O)(n) (similar to 20 &lt;= n &lt;= similar to 50) Peer-reviewed

    Toru Hamashima, Kenta Mizuse, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　115　(5)　620-625　2011/02

    DOI： 10.1021/jp111586p 　

    ISSN： 1089-5639

  64. Infrared photodissociation spectroscopy of H+(H2O)(6)center dot M-m (M = Ne, Ar, Kr, Xe, H-2, N-2, and CH4): messenger-dependent balance between H3O+ and H5O2+ core isomers Peer-reviewed

    Kenta Mizuse, Asuka Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　13　(15)　7129-7135　2011

    DOI： 10.1039/c1cp20207c 　

    ISSN： 1463-9076

    eISSN： 1463-9084

  65. Structural trends of ionized water networks: Infrared spectroscopy of water cluster radical cations (H2O)(n)(+) (n=3-11) Peer-reviewed

    Kenta Mizuse, Jer-Lai Kuo, Asuka Fujii

    CHEMICAL SCIENCE　2　(5)　868-876　2011

    DOI： 10.1039/c0sc00604a 　

    ISSN： 2041-6520

    eISSN： 2041-6539

  66. Experimental and theoretical determination of the accurate CH/pi interaction energies in benzene-alkane clusters: correlation between interaction energy and polarizability Peer-reviewed

    Asuka Fujii, Hiromasa Hayashi, Jae Woo Park, Takaki Kazama, Naohiko Mikami, Seiji Tsuzuki

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　13　(31)　14131-14141　2011

    DOI： 10.1039/c1cp20203k 　

    ISSN： 1463-9076

  67. Long-Range Migration of a Water Molecule To Catalyze a Tautomerization in Photoionization of the Hydrated Formamide Cluster Peer-reviewed

    Satoshi Maeda, Yoshiyuki Matsuda, Shinichi Mizutani, Asuka Fujii, Koichi Ohno

    JOURNAL OF PHYSICAL CHEMISTRY A　114　(44)　11896-11899　2010/11

    DOI： 10.1021/jp107034y 　

    ISSN： 1089-5639

  68. Infrared and Electronic Spectroscopy of Benzene-Ammonia Cluster Radical Cations [C6H6(NH3)(1,2)](+): Observation of Isolated and Microsolvated sigma-Complexes Peer-reviewed

    Kenta Mizuse, Hayato Hasegawa, Naohiko Mikami, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　114　(42)　11060-11069　2010/10

    DOI： 10.1021/jp1009466 　

    ISSN： 1089-5639

  69. Anticooperative Effect Induced by Mixed Solvation in H+(CH3OH)(m)(H2O)(n) (m plus n=5 and 6): A Theoretical and Infrared Spectroscopic Study Peer-reviewed

    Dan Bing, Toru Hamashima, Asuka Fujii, Jer-Lai Kuo

    JOURNAL OF PHYSICAL CHEMISTRY A　114　(31)　8170-8177　2010/08

    DOI： 10.1021/jp104931t 　

    ISSN： 1089-5639

  70. Comprehensive Analysis on the Structure and Proton Switch in H+(CH3OH)(m)(H2O)(n) (m plus n=5 and 6) Peer-reviewed

    Dan Bing, Toru Hamashima, Quoc Chinh Nguyen, Asuka Fujii, Jer-Lai Kuo

    JOURNAL OF PHYSICAL CHEMISTRY A　114　(9)　3096-3102　2010/03

    DOI： 10.1021/jp9082689 　

    ISSN： 1089-5639

  71. Catalytic Action of a Single Water Molecule in a Proton-Migration Reaction Peer-reviewed

    Yoshiyuki Matsuda, Ayako Yamada, Ken-ichi Hanaue, Naohiko Mikami, Asuka Fujii

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION　49　(29)　4898-4901　2010

    DOI： 10.1002/anie.201001364 　

    ISSN： 1433-7851

  72. Infrared Spectra and Hydrogen-Bonded Network Structures of Large Protonated Water Clusters H+(H2O)(n) (n=20-200) Peer-reviewed

    Kenta Mizuse, Naohiko Mikami, Asuka Fujii

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION　49　(52)　10119-10122　2010

    DOI： 10.1002/anie.201003662 　

    ISSN： 1433-7851

  73. Infrared Spectroscopy of Phenol-(H2O)(n &gt; 10): Structural Strains in Hydrogen Bond Networks of Neutral Water Clusters Peer-reviewed

    Kenta Mizuse, Toru Hamashima, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　113　(44)　12134-12141　2009/11

    DOI： 10.1021/jp9061187 　

    ISSN： 1089-5639

  74. Intermolecular proton-transfer in acetic acid clusters induced by vacuum-ultraviolet photoionization Peer-reviewed

    Keisuke Ohta, Yoshiyuki Matsuda, Naohiko Mikami, Asuka Fujii

    JOURNAL OF CHEMICAL PHYSICS　131　(18)　18304-1-18304-11　2009/11

    DOI： 10.1063/1.3257686 　

    ISSN： 0021-9606

  75. Interpreting the Physical Background of Empirical Solvent Polarity via Photodetachment Spectroscopy of Microsolvated Aromatic Ketyl Anions Peer-reviewed

    Toshihiko Maeyama, Keiji Yoshida, Izumi Yagi, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　113　(40)　10593-10602　2009/10

    DOI： 10.1021/jp901641n 　

    ISSN： 1089-5639

  76. Infrared spectroscopy for acetone and its dimer based on photoionization detection with tunable coherent vacuum-ultraviolet light Peer-reviewed

    Yoshiyuki Matsuda, Keisuke Ohta, Naohiko Mikami, Asuka Fujii

    CHEMICAL PHYSICS LETTERS　471　(1-3)　50-53　2009/03

    DOI： 10.1016/j.cplett.2009.02.026 　

    ISSN： 0009-2614

  77. Proton Switch Correlated with the Morphological Development of the Hydrogen-Bond Network in H+(MeOH)(m)(H2O)(1) (m=1-9): A Theoretical and Infrared Spectroscopic Study Peer-reviewed

    Dan Bing, Jer-Lai Kuo, Ken-ichiro Suhara, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　113　(11)　2323-2332　2009/03

    DOI： 10.1021/jp900066u 　

    ISSN： 1089-5639

  78. Vibrational spectroscopy of size-selected neutral and cationic clusters combined with vacuum-ultraviolet one-photon ionization detection Invited Peer-reviewed

    Yoshiyuki Matsuda, Naohiko Mikami, Asuka Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　11　(9)　1279-1290　2009

    DOI： 10.1039/b815257h 　

    ISSN： 1463-9076

  79. Comprehensive Analysis of the Hydrogen Bond Network Morphology and OH Stretching Vibrations in Protonated Methanol-Water Mixed Clusters, H+(MeOH)(1)(H2O)(n) (n=1-8) Peer-reviewed

    Jer-Lai Kuo, Zhi-zhong xie, Dan Bing, Asuka Fujii, Toru Hamashima, Ken-ichiro Suhara, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　112　(41)　10125-10133　2008/10

    DOI： 10.1021/jp8057299 　

    ISSN： 1089-5639

  80. Infrared predissociation spectroscopy of cluster cations of protic molecules, (NH(3))(n)(+), n=2-4 and (CH(3)OH)(n)(+), n=2,3 Peer-reviewed

    Masaki Hachiya, Yoshiyuki Matsuda, Ken-ichiro Suhara, Naohiko Mikami, Asuka Fujii

    JOURNAL OF CHEMICAL PHYSICS　129　(9)　094306-1-094306-8　2008/09

    DOI： 10.1063/1.2971186 　

    ISSN： 0021-9606

  81. Size-selected infrared predissociation spectroscopy of neutral and cationic formamide-water clusters: Stepwise growth of hydrated structures and intracluster hydrogen transfer induced by vacuum-ultraviolet photoionization Peer-reviewed

    Daichi Sakai, Yoshiyuki Matsuda, Masaki Hachiya, Mayumi Mori, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　112　(30)　6840-6849　2008/07

    DOI： 10.1021/jp800743b 　

    ISSN： 1089-5639

  82. Photoelectron spectroscopy of microsolvated benzophenone radical anions to reveal the origin of solvatochromic shifts in alcoholic media Peer-reviewed

    Toshihiko Maeyama, Izumi Yagi, Asuka Fujii, Naohiko Mikami

    CHEMICAL PHYSICS LETTERS　457　(1-3)　18-22　2008/05

    DOI： 10.1016/j.cplett.2008.03.055 　

    ISSN： 0009-2614

    eISSN： 1873-4448

  83. Experimental and theoretical determination of the accurate interaction energies in benzene-halomethane: the unique nature of the activated CH/pi interaction of haloalkanes Peer-reviewed

    Asuka Fujii, Kenta Shibasaki, Takaki Kazama, Ryousuke Itaya, Naohiko Mikami, Seiji Tsuzuki

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　10　(19)　2836-2843　2008

    DOI： 10.1039/b717053j 　

    ISSN： 1463-9076

  84. CH/pi interactions in methane clusters with polycyclic aromatic hydrocarbons Peer-reviewed

    Seiji Tsuzuki, Kazumasa Honda, Asuka Fujii, Tadafumi Uchimaru, Masuhiro Mikami

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　10　(19)　2860-2865　2008

    DOI： 10.1039/b718550b 　

    ISSN： 1463-9076

  85. Nature and physical origin of CH/pi interaction: significant difference from conventional hydrogen bonds Peer-reviewed

    Seiji Tsuzuki, Asuka Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　10　(19)　2584-2594　2008

    DOI： 10.1039/b718656h 　

    ISSN： 1463-9076

  86. Observation of an isolated intermediate of the nucleophilic aromatic substition reaction by infrared spectroscopy Peer-reviewed

    Hayato Hasegawa, Kenta Mizuse, Masaki Hachiya, Yoshiyuki Matsuda, Naohiko Mikami, Asuka Fujii

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION　47　(32)　6008-6010　2008

    DOI： 10.1002/anie.200801751 　

    ISSN： 1433-7851

  87. Comprehensive characterization of the photodissociation pathways of protonated tryptophan Peer-reviewed

    V. Lepere, B. Lucas, M. Barat, J. A. Fayeton, V. J. Picard, C. Jouvet, P. Carcabal, I. Nielsen, C. Dedonder-Lardeux, G. Gregoire, A. Fujii

    JOURNAL OF CHEMICAL PHYSICS　127　(13)　13413　2007/10

    DOI： 10.1063/1.2770458 　

    ISSN： 0021-9606

    eISSN： 1089-7690

  88. Theoretical analyses of the morphological development of the hydrogen bond network in protonated methanol clusters Peer-reviewed

    Jer-Lai Kuo, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　111　(38)　9438-9445　2007/09

    DOI： 10.1021/jp074676t 　

    ISSN： 1089-5639

  89. Stepwise solvatochromism of ketyl anions in the gas phase: Photodetachment excitation spectroscopy of benzophenone and acetophenone radical anions microsolvated with methanol Peer-reviewed

    Izumi Yagi, Toshihiko Maeyama, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　111　(31)　7646-7652　2007/08

    DOI： 10.1021/jp0721671 　

    ISSN： 1089-5639

  90. Stimulated Raman spectroscopy combined with vacuum ultraviolet photoionization: Application to jet-cooled methanol clusters as a new vibrational spectroscopic method for size-selected species in the gas phase Peer-reviewed

    Yoshiyuki Matsuda, Masaki Hachiya, Asuka Fujii, Naohiko Mikami

    CHEMICAL PHYSICS LETTERS　442　(4-6)　217-219　2007/07

    DOI： 10.1016/j.cplett.2007.05.101 　

    ISSN： 0009-2614

  91. Long range influence of an excess proton on the architecture of the hydrogen bond network in large-sized water clusters Peer-reviewed

    Kenta Mizuse, Asuka Fujii, Naohiko Mikami

    JOURNAL OF CHEMICAL PHYSICS　126　(23)　231101-1-3　2007/06

    DOI： 10.1063/1.2750669 　

    ISSN： 0021-9606

  92. Compatibility between methanol and water in the three-dimensional cage formation of large-sized protonated methanol-water mixed clusters Peer-reviewed

    Ken-ichiro Suhara, Asuka Fujii, Kenta Mizuse, Naohiko Mikami, Jer-Lai Kuo

    JOURNAL OF CHEMICAL PHYSICS　126　(19)　194306-1-8　2007/05

    DOI： 10.1063/1.2734969 　

    ISSN： 0021-9606

  93. Magnitude and nature of interactions in benzene-X (X = ethylene and acetylene) in the gas phase: Significantly different CH/pi interaction of acetylene as compared with those of ethylene and methane Peer-reviewed

    Kenta Shibasaki, Asuka Fujii, Naohiko Mikami, Seiji Tsuzuki

    JOURNAL OF PHYSICAL CHEMISTRY A　111　(5)　753-758　2007/02

    DOI： 10.1021/jp065076h 　

    ISSN： 1089-5639

  94. Characterization of neutral fragments issued from the photodissociation of protonated tryptophane Peer-reviewed

    V. Lepere, B. Lucas, M. Barat, J. A. Fayeton, Y. J. Picard, C. Jouvet, P. Carcabal, I. Nielsen, C. Dedonder-Lardeux, G. Gregoire, A. Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　9　(39)　5330-5334　2007

    DOI： 10.1039/b708814k 　

    ISSN： 1463-9076

  95. Infrared vibrational autodetachment spectroscopy of microsolvated benzonitrile radical anions Peer-reviewed

    Toshihiko Maeyama, Izumi Yagi, Yasuhiro Murota, Asuka Fujii, Naohiko Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　110　(51)　13712-13716　2006/12

    DOI： 10.1021/jp064389+ 　

    ISSN： 1089-5639

  96. Infrared predissociation spectroscopy of ammonia cluster cations (NH3)(+)(n) (n=2-4) produced by vacuum-ultraviolet photoionization Peer-reviewed

    Yoshiyuki Matsuda, Mayumi Mori, Masaki Hachiya, Asuka Fujii, Naohiko Mikami

    JOURNAL OF CHEMICAL PHYSICS　125　(16)　164320-1-4　2006/10

    DOI： 10.1063/1.2360279 　

    ISSN： 0021-9606

  97. Origin of the attraction in aliphatic C-H/pi interactions: Infrared spectroscopic and theoretical characterization of gas-phase clusters of aromatics with methane Peer-reviewed

    So-ichi Morita, Asuka Fujii, Naohiko Mikami, Seiji Tsuzuki

    JOURNAL OF PHYSICAL CHEMISTRY A　110　(36)　10583-10590　2006/09

    DOI： 10.1021/jp064297k 　

    ISSN： 1089-5639

    eISSN： 1520-5215

  98. Magnitude and directionality of the interaction energy of the aliphatic CH/pi interaction: Significant difference from hydrogen bond Peer-reviewed

    Seiji Tsuzuki, Kazumasa Honda, Tadafumi Uchimaru, Masuhiro Mikami, Asuka Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A　110　(33)　10163-10168　2006/08

    DOI： 10.1021/jp064206j 　

    ISSN： 1089-5639

  99. Complete infrared spectroscopic characterization of phenol-borane-trimethylamine dihydrogen-bonded complex in the gas phase Peer-reviewed

    GN Patwari, A Fujii, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　124　(24)　241103-1--4　2006/06

    DOI： 10.1063/1.2212937 　

    ISSN： 0021-9606

  100. Infrared spectroscopy of size-selected neutral clusters combined with vacuum-ultraviolet-photoionization mass spectrometry Peer-reviewed

    Y Matsuda, M Mori, M Hachiya, A Fujii, N Mikami

    CHEMICAL PHYSICS LETTERS　422　(4-6)　378-381　2006/05

    DOI： 10.1016/j.cplett.2006.02.104 　

    ISSN： 0009-2614

  101. Infrared and electronic spectroscopy of a model system for the nucleophilic substitution intermediate in the gas phase: The C-N valence bond formation in the benzene-ammonia cluster cation Peer-reviewed

    K Mizuse, A Fujii, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　110　(20)　6387-6390　2006/05

    DOI： 10.1021/jp0610281 　

    ISSN： 1089-5639

  102. Magnitude of the CH/pi interaction in the gas phase: Experimental and theoretical determination of the accurate interaction energy in benzene-methane Peer-reviewed

    K Shibasaki, A Fujii, N Mikami, S Tsuzuki

    JOURNAL OF PHYSICAL CHEMISTRY A　110　(13)　4397-4404　2006/04

    DOI： 10.1021/jp0605909 　

    ISSN： 1089-5639

  103. Electronic and infrared spectroscopy of [benzene-(methanol)(n)](+)(n=1-6) Peer-reviewed

    S Enomoto, M Miyazaki, A Fujii, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　109　(42)　9471-9480　2005/10

    DOI： 10.1021/jp052552y 　

    ISSN： 1089-5639

  104. Infrared and ultraviolet laser spectroscopy of jet-cooled substituted salicylic acids; substitution effects on the excited state intramolecular proton transfer in salicylic acid Peer-reviewed

    ABEH Abou El-Nasr, A Fujii, T Ebata, N Mikami

    MOLECULAR PHYSICS　103　(11-12)　1561-1572　2005/06

    DOI： 10.1080/00267890500123543 　

    ISSN： 0026-8976

  105. A study on aromatic C-H center dot center dot center dot X (X = N, O) hydrogen bonds in 1,2,4,5-tetrafluorobenzene clusters using infrared spectroscopy and ab initio calculations Peer-reviewed

    Venkatesan, V, A Fujii, N Mikami

    CHEMICAL PHYSICS LETTERS　409　(1-3)　57-62　2005/06

    DOI： 10.1016/j.cplett.2005.04.079 　

    ISSN： 0009-2614

  106. Laser spectroscopic investigation of salicylic acids hydrogen bonded with water in supersonic jets: Microsolvation effects for excited state proton dislocation Peer-reviewed

    EA El-Hakam, A Ei-Nasr, A Fujii, T Yahagi, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　109　(11)　2498-2504　2005/03

    DOI： 10.1021/jp046381a 　

    ISSN： 1089-5639

  107. Infrared and ab initio studies on 1,2,4,5-tetrafluorobenzene clusters with methanol and 2,2,2-trifluoroethanol: Presence and absence of an aromatic C-H center dot center dot center dot O hydrogen bond Peer-reviewed

    Venkatesan, V, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　109　(5)　915-921　2005/02

    ISSN： 1089-5639

  108. Morphology of protonated methanol clusters: An infrared spectroscopic study of hydrogen bond networks of H+(CH3OH)(n) (n=4-15) Peer-reviewed

    A Fujii, S Enomoto, M Miyazaki, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　109　(1)　138-141　2005/01

    DOI： 10.1021/jp0463464 　

    ISSN： 1089-5639

  109. Infrared spectroscopy of size-selected benzene-water cluster cations [C6H6-(H2O)(n)](+) (n=1-23): Hydrogen bond network evolution and microscopic hydrophobicity Peer-reviewed

    M Miyazaki, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　108　(48)　10656-10660　2004/12

    DOI： 10.1021/jp045823f 　

    ISSN： 1089-5639

  110. Electronic spectroscopy of benzene-water cluster cations, [C6H6-(H2O)(n)](+) (n=1-4): spectroscopic evidence for phenyl radical formation through size-dependent intracluster proton transfer reactions Peer-reviewed

    M Miyazaki, A Fujii, T Ebata, N Mikami

    CHEMICAL PHYSICS LETTERS　399　(4-6)　412-416　2004/12

    DOI： 10.1016/j.cplett.2004.10.036 　

    ISSN： 0009-2614

  111. Binding energy of the benzene-water cluster cation: An Ar-mediated IR photodissociation study Peer-reviewed

    M Miyazaki, A Fujii, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　108　(40)　8269-8272　2004/10

    DOI： 10.1021/jp047723f 　

    ISSN： 1089-5639

  112. A direct experimental evidence for an aromatic C-H center dot center dot center dot O hydrogen bond by fluorescence-detected infrared spectroscopy Peer-reviewed

    Venkatesan, V, A Fujii, T Ebata, N Mikami

    CHEMICAL PHYSICS LETTERS　394　(1-3)　45-48　2004/08

    DOI： 10.1016/j.cplett.2004.06.101 　

    ISSN： 0009-2614

  113. Infrared spectroscopic evidence for protonated water clusters forming nanoscale cages Peer-reviewed

    M Miyazaki, A Fujii, T Ebata, N Mikami

    SCIENCE　304　(5674)　1134-1137　2004/05

    DOI： 10.1126/science.1096037 　

    ISSN： 0036-8075

  114. A molecular cluster study on activated CH/pi interactions: Infrared spectroscopy of aromatic molecule-acetylene clusters Peer-reviewed

    A Fujii, S Morita, M Miyazaki, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　108　(14)　2652-2658　2004/04

    DOI： 10.1021/jp049946b 　

    ISSN： 1089-5639

  115. Substitution effects on the excited-state intramolecular proton transfer of salicylic acid: an infrared spectroscopic study on the OH stretching vibrations of jet-cooled 5-methoxysalicylic acid Peer-reviewed

    AA Abou El-Nasr, A Fujii, T Ebata, N Mikami

    CHEMICAL PHYSICS LETTERS　376　(5-6)　788-793　2003/07

    DOI： 10.1016/S0009-2614(03)01041-8 　

    ISSN： 0009-2614

  116. NH stretching vibrations of jet-cooled aniline and its derivatives in the neutral and cationic ground states Peer-reviewed

    M Honda, A Fujii, E Fujimaki, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　107　(19)　3678-3686　2003/05

    DOI： 10.1021/jp022504k 　

    ISSN： 1089-5639

  117. Infrared spectroscopy of hydrated benzene cluster cations, [C6H6-(H2O)(n)](+) (n=1-6): Structural changes upon photoionization and proton transfer reactions Peer-reviewed

    M Miyazaki, A Fujii, T Ebata, N Mikami

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS　5　(6)　1137-1148　2003

    DOI： 10.1039/b210293e 　

    ISSN： 1463-9076

  118. Direct observation of weak hydrogen bonds in microsolvated phenol: Infrared spectroscopy of OH stretching vibrations of Phenol-CO and -CO2 in S-0 and D-0 Peer-reviewed

    A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　106　(43)　10124-10129　2002/10

    DOI： 10.1021/jp0212601 　

    ISSN： 1089-5639

  119. Vibrational spectroscopic evidence of unconventional hydrogen bonds Invited Peer-reviewed

    A Fujii, GN Patwari, T Ebata, N Mikami

    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY　220　(2)　289-312　2002/10

    DOI： 10.1016/S1387-3806(02)00774-1 　

    ISSN： 1387-3806

  120. An infrared study of pi-hydrogen bonds in micro-solvated phenol: OH stretching vibrations of phenol-X (X = C6H6, C2H4, and C2H2) clusters in the neutral and cationic ground states Peer-reviewed

    A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　106　(37)　8554-8560　2002/09

    DOI： 10.1021/jp0208992 　

    ISSN： 1089-5639

  121. Infrared spectroscopy of the benzene-H2O cluster cation: experimental study on the drastic structural change upon photoionization Peer-reviewed

    M Miyazaki, A Fujii, T Ebata, N Mikami

    CHEMICAL PHYSICS LETTERS　349　(5-6)　431-436　2001/12

    DOI： 10.1016/S0009-2614(01)01239-8 　

    ISSN： 0009-2614

  122. Infrared spectroscopy of the OH stretching vibrations of jet-cooled salicylic acid and its dimer in S-0 and S-1 Peer-reviewed

    T Yahagi, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　105　(47)　10673-10680　2001/11

    DOI： 10.1021/jp0126199 　

    ISSN： 1089-5639

  123. Infrared photodissociation spectroscopy of n-propylbenzene-Ar cluster cations: Charge delocalization between the aromatic ring and the alkyl chain Peer-reviewed

    E Fujimaki, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　105　(20)　4882-4886　2001/05

    DOI： 10.1021/jp004557c 　

    ISSN： 1089-5639

  124. Vibrationally autoionizing Rydberg clusters: Spectroscopy and dynamics of pyrazine-Ar and -Xe clusters Peer-reviewed

    A Fujii, Y Kitamura, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　113　(18)　8000-8008　2000/11

    DOI： 10.1063/1.1315359 　

    ISSN： 0021-9606

  125. Autoionization-detected infrared spectroscopy of jet-cooled naphthol cations Peer-reviewed

    E Fujimaki, Y Matsumoto, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　104　(31)　7227-7232　2000/08

    DOI： 10.1021/jp000827f 　

    ISSN： 1089-5639

  126. Autoionization-detected infrared (ADIR) spectroscopy of molecular cations Peer-reviewed

    A Fujii, N Mikami

    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA　108　(1-3)　21-30　2000/07

    DOI： 10.1016/S0368-2048(00)00142-0 　

    ISSN： 0368-2048

  127. Infrared spectroscopy of CH stretching vibrations of jet-cooled alkylbenzene cations by using the "messenger" technique Peer-reviewed

    A Fujii, E Fujimaki, T Ebata, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　112　(14)　6275-6284　2000/04

    DOI： 10.1063/1.481272 　

    ISSN： 0021-9606

  128. Autoionization-detected infrared spectroscopy of intramolecular hydrogen bonds in aromatic cations. II. Unconventional intramolecular hydrogen bonds Peer-reviewed

    E Fujimaki, A Fujii, T Ebata, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　112　(1)　137-148　2000/01

    DOI： 10.1063/1.480569 　

    ISSN： 0021-9606

  129. Infrared spectroscopy of the phenol-N-2 cluster in S-0 and D-0: Direct evidence of the in-plane structure of the cluster Peer-reviewed

    A Fujii, M Miyazaki, T Ebata, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　110　(23)　11125-11128　1999/06

    DOI： 10.1063/1.479055 　

    ISSN： 0021-9606

  130. Autoionization-detected infrared spectroscopy of jet-cooled aromatic cations in the gas phase: CH stretching vibrations of isolated p-ethylphenol cations Peer-reviewed

    A Fujii, E Fujimaki, T Ebata, N Mikami

    CHEMICAL PHYSICS LETTERS　303　(3-4)　289-294　1999/04

    DOI： 10.1016/S0009-2614(99)00227-4 　

    ISSN： 0009-2614

  131. Autoionization-detected infrared spectroscopy of intramolecular hydrogen bonds in aromatic cations. I. Principle and application to fluorophenol and methoxyphenol Peer-reviewed

    E Fujimaki, A Fujii, T Ebata, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　110　(9)　4238-4247　1999/03

    DOI： 10.1063/1.478306 　

    ISSN： 0021-9606

  132. A new type of intramolecular hydrogen bonding: Hydroxyl-methyl interactions in the o-cresol cation Peer-reviewed

    A Fujii, E Fujimaki, T Ebata, N Mikami

    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY　120　(50)　13256-13257　1998/12

    DOI： 10.1021/ja982922w 　

    ISSN： 0002-7863

  133. Infrared spectroscopy of intramolecular hydrogen-bonded OH stretching vibrations in jet-cooled methyl salicylate and its clusters Peer-reviewed

    A Mitsuzuka, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　102　(48)　9779-9784　1998/11

    DOI： 10.1021/jp9830934 　

    ISSN： 1089-5639

  134. Vibrational spectroscopy of small-sized hydrogen-bonded clusters and their ions Peer-reviewed

    T Ebata, A Fujii, N Mikami

    INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY　17　(3)　331-361　1998/07

    DOI： 10.1080/014423598230081 　

    ISSN： 0144-235X

  135. Photodissociation of NO2 at 355 nm: pair correlation Peer-reviewed

    CH Hsieh, YS Lee, A Fujii, SH Lee, KP Liu

    CHEMICAL PHYSICS LETTERS　277　(1-3)　33-38　1997/10

    DOI： 10.1016/S0009-2614(97)00884-1 　

    ISSN： 0009-2614

  136. Autoionization-detected infrared spectroscopy of molecular ions Peer-reviewed

    A Fujii, A Iwasaki, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　101　(34)　5963-5965　1997/08

    DOI： 10.1021/jp971592j 　

    ISSN： 1089-5639

  137. Infrared spectroscopy of (phenol)(n)(+) (n=2-4) and (phenol-benzene)(+) cluster ions Peer-reviewed

    A Fujii, A Iwasaki, K Yoshida, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY A　101　(10)　1798-1803　1997/03

    DOI： 10.1021/jp961910z 　

    ISSN： 1089-5639

  138. Photodetachment of small water cluster anions in the near-infrared through the visible region Peer-reviewed

    T Maeyama, T Tsumura, A Fujii, N Mikami

    CHEMICAL PHYSICS LETTERS　264　(3-4)　292-296　1997/01

    DOI： 10.1016/S0009-2614(96)01337-1 　

    ISSN： 0009-2614

  139. Observation of intramolecular hydrogen bonds of o-fluorophenol ions by using autoionization detected infrared spectroscopy Peer-reviewed

    A Fujii, A Iwasaki, N Mikami

    CHEMISTRY LETTERS　(11)　1099-1100　1997

    DOI： 10.1246/cl.1997.1099 　

    ISSN： 0366-7022

    eISSN： 1348-0715

  140. Structures of size-selected hydrogen-bonded phenol-(H2O)(n) clusters in S-0, S-1 and ion Peer-reviewed

    T Ebata, A Fujii, N Mikami

    INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES　159　111-124　1996/12

    DOI： 10.1016/S0168-1176(96)04445-X 　

    ISSN： 0168-1176

  141. Infrared spectroscopy of hydrogen-bonded phenol-amine clusters in supersonic jets Peer-reviewed

    A Iwasaki, A Fujii, T Watanabe, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY　100　(40)　16053-16057　1996/10

    DOI： 10.1021/jp960711c 　

    ISSN： 0022-3654

  142. Infrared spectroscopy of OH stretching vibrations of hydrogen-bonded tropolone-(H2O)(n) (n=1-3) and tropolone-(CH3OH)(n) (n=1 and 2) clusters Peer-reviewed

    A Mitsuzuka, A Fujii, T Ebata, N Mikami

    JOURNAL OF CHEMICAL PHYSICS　105　(7)　2618-2627　1996/08

    DOI： 10.1063/1.472126 　

    ISSN： 0021-9606

  143. Infrared spectroscopy of precursor clusters for nucleophilic substitution reactions: Fluorobenzene-(CH3OH)(n) (n=1 and 2) Peer-reviewed

    A Fujii, S Okuyama, A Iwasaki, T Maeyama, T Ebata, N Mikami

    CHEMICAL PHYSICS LETTERS　256　(1-2)　1-7　1996/06

    DOI： 10.1016/0009-2614(96)00405-8 　

    ISSN： 0009-2614

  144. Characterization of the hydrogen-bonded cluster ions [phenol-(H2O)(n)](+) (n=1-4), (phenol)(2)(+), and (phenol-methanol)(+) as studied by trapped ion infrared multiphoton dissociation spectroscopy of their OH stretching vibrations Peer-reviewed

    T Sawamura, A Fujii, S Sato, T Ebata, N Mikami

    JOURNAL OF PHYSICAL CHEMISTRY　100　(20)　8131-8138　1996/05

    DOI： 10.1021/jp952622q 　

    ISSN： 0022-3654

  145. Laser-induced fluorescence of jet-cooled chlorotoluene molecules Peer-reviewed

    H Kojima, T Suzuki, T Ichimura, A Fujii, T Ebata, N Mikami

    JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY　92　(1-2)　1-5　1995/12

    DOI： 10.1016/1010-6030(95)04163-3 　

    ISSN： 1010-6030

  146. 3-COLOR TRIPLE-RESONANCE SPECTROSCOPY OF HIGHLY EXCITED NG-RYDBERG STATES OF NO - DECAY DYNAMICS OF HIGH-L RYDBERG STATES Peer-reviewed

    A FUJII, N MORITA

    JOURNAL OF CHEMICAL PHYSICS　103　(14)　6029-6039　1995/10

    DOI： 10.1063/1.470431 　

    ISSN： 0021-9606

  147. INFRARED DISSOCIATION SPECTROSCOPY OF THE OH STRETCHING VIBRATION OF PHENOL RARE-GAS VAN-DER-WAALS CLUSTER IONS Peer-reviewed

    A FUJII, T SAWAMURA, S TANABE, T EBATA, N MIKAMI

    CHEMICAL PHYSICS LETTERS　225　(1-3)　104-107　1994/07

    DOI： 10.1016/0009-2614(94)00616-4 　

    ISSN： 0009-2614

  148. LASER SPECTROSCOPIC INVESTIGATION OF HIGH RYDBERG STATES OF NO - DECAY DYNAMICS NEAR THE FIRST IONIZATION THRESHOLD Peer-reviewed

    A FUJII, N MORITA

    LASER CHEMISTRY　13　(3-4)　259-271　1994

    ISSN： 0278-6273

  149. LASER INVESTIGATION OF THE COMPETITION BETWEEN ROTATIONAL AUTOIONIZATION AND PREDISSOCIATION IN SUPEREXCITED NP RYDBERG STATES OF NO Peer-reviewed

    A FUJII, N MORITA

    JOURNAL OF CHEMICAL PHYSICS　98　(6)　4581-4585　1993/03

    DOI： 10.1063/1.465019 　

    ISSN： 0021-9606

  150. ROTATIONAL STATE DEPENDENCE OF DECAY DYNAMICS IN THE SUPEREXCITED 7F RYDBERG STATE (UPSILON=1) OF NO Peer-reviewed

    A FUJII, N MORITA

    JOURNAL OF CHEMICAL PHYSICS　97　(1)　327-334　1992/07

    DOI： 10.1063/1.463631 　

    ISSN： 0021-9606

  151. DETECTION OF NITROGEN-ATOMS PRODUCED BY PREDISSOCIATION OF SUPEREXCITED RYDBERG STATES OF NO Peer-reviewed

    A FUJII, N MORITA

    CHEMICAL PHYSICS LETTERS　182　(3-4)　304-309　1991/08

    DOI： 10.1016/0009-2614(91)80219-N 　

    ISSN： 0009-2614

  152. PRODUCTION OF ROTATIONALLY STATE SELECTED IONS BY RESONANT ENHANCED MULTIPHOTON IONIZATION OF CO IN A SUPERSONIC FREE JET Peer-reviewed

    A FUJII, T EBATA, M ITO

    CHEMICAL PHYSICS LETTERS　161　(2)　93-97　1989/09

    DOI： 10.1016/0009-2614(89)85037-7 　

    ISSN： 0009-2614

  153. VACUUM ULTRAVIOLET VISIBLE DOUBLE-RESONANCE SPECTROSCOPY OF NO - OBSERVATION OF THE HIGH EXCITED NS AND ND RYDBERG SERIES Peer-reviewed

    A FUJII, T EBATA, M ITO

    JOURNAL OF CHEMICAL PHYSICS　90　(12)　6993-6999　1989/06

    DOI： 10.1063/1.456274 　

    ISSN： 0021-9606

  154. NASCENT ROTATIONAL DISTRIBUTION AND THE RELAXATION OF THE N-2+ ION PRODUCED BY DOUBLE RESONANT MULTIPHOTON IONIZATION Peer-reviewed

    A FUJII, T EBATA, M ITO

    JOURNAL OF CHEMICAL PHYSICS　88　(9)　5307-5313　1988/05

    DOI： 10.1063/1.454589 　

    ISSN： 0021-9606

  155. PHOTODISSOCIATION OF FORMIC-ACID - INTERNAL STATE DISTRIBUTION OF OH FRAGMENT Peer-reviewed

    T EBATA, A FUJII, T AMANO, M ITO

    JOURNAL OF PHYSICAL CHEMISTRY　91　(24)　6095-6097　1987/11

    DOI： 10.1021/j100308a008 　

    ISSN： 0022-3654

  156. 2-COLOR DOUBLE RESONANT MULTIPHOTON IONIZATION OF N-2 AND THE LIF DETECTION OF N-2+ ION PRODUCED BY MULTIPHOTON IONIZATION Peer-reviewed

    T EBATA, A FUJII, M ITO

    JOURNAL OF PHYSICAL CHEMISTRY　91　(12)　3125-3128　1987/06

    DOI： 10.1021/j100296a004 　

    ISSN： 0022-3654

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Books and Other Publications 2

  1. Encyclopedia of of Light Emission

    Shuichi Kinoshita et, al. Ed

    Asakura Shoten　2015/09/15

  2. Ionization-detected vibrational Spectroscopy of size-selected hydrogen-bonding clusters of phenol.

    FUJII Asuka

    1996

Presentations 40

  1. Protonated methanol-water mixed clusters: Hydrogen bond structures and their temperature dependence International-presentation

    WRHI International Workshop on Advanced Laser Spectroscopy for Soft Molecular Systems　2017/10/06

  2. Infrared spectroscopy of the (H2S)n+ and H+(H2S)n clusters: What is difference between H2S and H2O? International-presentation

    34th International Symposium on Free Radicals　2017/08/27

  3. 大きな水素結合クラスターの赤外分光

    第３９回溶液化学シンポジウム　2016/11/09

  4. Infrared spectroscopy of protonated hydrogen sulfide clusters. ~ What is difference between H2S and H2O? ~ International-presentation

    WRHI International Workshop on Advanced Laser Spectroscopy for Soft Molecular Systems　2016/09/26

  5. Stepwise internal energy control for protonated methanol clusters by using the inert gas tagging International-presentation

    Takuto Shimamori, Asuka Fujii, Jer-lai Kuo

    71st International Symposium on Molecular Spectroscopy　2016/06/20

  6. Temperature dependence of hydrogen bond network structures probed by infrared spectroscopy of gas phase clusters International-presentation

    Pacifichem2015　2015/12/15

  7. Infrared Spectroscopy of Large hydrogen-Bonded Clusters International-presentation

    11th. Asian International Seminar on Atomic and Molecular Physics　2014/10/06

  8. Infrared Spectroscopy of Protonated Clusters: From Dimers to Large Sizes International-presentation

    Gordon Research Conference “Molecular and Ionic Clusters”　2014/04/27

  9. Infrared Spectroscopy of Methanol: A Cluster Study on Hydrogen Bond Structures International-presentation

    Symposium on Molecular Science and Synthesis of Functional Molecules for Next Generation　2014/03/10

  10. 大サイズクラスターの赤外分光

    第７回分子科学討論会　2013/09/24

  11. Infrared spectroscopy of ((CH3)3N)n-H+-H2O (n=1-3): Structures and dissociation channels of protonated mixed clusters around a magic number International-presentation

    The 68th International Symposium on Molecular Spectroscopy　2013/06/17

  12. Infrared spectroscopy of size-selected large water clusters International-presentation

    2012 Workshop on structure and dynamics of water in gas, liquid, and solid phases　2012/11/28

  13. Infrared spectroscopy of large-sized neutral and protonated clusters International-presentation

    Tomohiro Kobayashi, Ryunosuke Shishido, Jer-Lai Kuo

    67th International symposium on Molecular spectroscopy　2012/06/18

  14. Hydrogen bond networks of water probed by large-sized clusters in the gas phase International-presentation

    !9th International Conference on “Horizons in Hydrogen Bond Research”　2011/09/12

  15. Hydrogen bond ring opening and closing in protonated methanol probed by infrared spectroscopy with and without Ar tagging International-presentation

    Toru Hamashima, Kenta Mizuse, Jer-Lai Kuo

    66th International symposium on Molecular spectroscopy　2011/06/20

  16. Infrared spectroscopy of size-selected large water clusters International-presentation

    IMS symposium on “Recent progress and prospects of cluster science and functional nano-structure science”　2011/01/07

  17. Infrared spectroscopy of size-selected large water clusters International-presentation

    Pacifichem 2010　2010/12/15

  18. Ionic clusters-Overview International-presentation

    Molecular and ionic clusters conference　2010/09/05

  19. Spectroscopic and theoretical determination of accurate CH/π interaction energies in benzene-hydrocarbon clusters International-presentation

    H. Hayashi, J. W. Park, T. Kazama, N. Mikami, S. Tsuzuki

    OSU international symposium on molecular spectroscopy　2010/06/21

  20. Infrared spectroscopy of size-selected large water clusters International-presentation

    Discussion Meeting on Spectroscopy and Dynamics of Molecules & Clusters 2010　2010/02/18

  21. Hydrogen bond structure of large-sized protonated water clusters International-presentation

    Gordon Research Conference “Molecular and Ionic Clusters”　2008/09/07

  22. Infrared laser spectroscopic investigation of nanoscale hydrogen bond networks in protonated water

    28th Physical Chemistry Colloquium ”Laser Chemistry & Nano Materials"　2008/09/05

  23. Infrared laser spectroscopic investigation of nanoscale hydrogen bond networks in protonated water International-presentation

    G-COE/IREMC International Meeting “Molecular Science for Future Materials and Complex Phenomena”　2008/08/22

  24. nfrared and electronic spectroscopy of nucleophilic substitution reaction intermediate cluster cations International-presentation

    Gordon Research Conference “Photoions, Photoionization, and Photodetachment”　2008/01/27

  25. Infrared Spectroscopy of Large-Sized Protonated Clusters: Morphological Development of Hydrogen Bond Network International-presentation

    Okazaki Conference “Molecular Science and Chemical Biology of Biomolecular Function”　2007/11/09

  26. Infrared spectroscopy of large-sized protonated water clusters International-presentation

    Asia Science Forum　2007/09/11

  27. The CH/p interaction: An interplay between molecular spectroscopy and ab initio calculations to explore weak intermolecular interactions International-presentation

    International symposium on molecular science of ultrafast electronic dynamics　2007/05/18

  28. Microscopic compatibility between methanol and water in hydrogen bond network development in protonated clusters International-presentation

    International Symposium on Molecular Spectroscopy　2006/06/19

  29. Infrared dissociation spectroscopy of hydrogen-bonded network structure of protonated methanol-water clusters International-presentation

    Pacifichem 2005　2005/12/15

  30. Infrared spectroscopy of large-sized protonated water and protonated methanol cluster cations International-presentation

    Gordon Research Conference on Molecular and Ionic Clusters　2004/09/05

  31. Infrared spectroscopy of large-sized protonated water cluster cations: Development of the 3-dimensional hydrogen bond network with cluster size International-presentation

    21th. International Symposium in Free Radical　2004/07/25

  32. Infrared spectroscopy of large-sized cluster cations containing water International-presentation

    The 8th east Asian workshop on chemical reactions　2004/03/08

  33. Infrared spectroscopy of large-sized water containing cluster cations International-presentation

    Okazaki Conference 2003　2003/12/15

  34. Autoionization-detected infrared spectroscopy of bare molecular cations International-presentation

    American Chemical Society Spring Meeting　2003/03/23

  35. Exploring "isomerization" reactions in jet-cooled molecules and clusters with infrared spectroscopy International-presentation

    6th. East Asian workshop on chemical reaction　2002/03/21

  36. Infrared spectroscopy of O-H---pi and C-H---pi hydrogen bonds in neutral and cationic clusters International-presentation

    Satelite meeting of COE conference; Solvated clusters　2001/10/04

  37. Infrared spectroscopy of cations in supersonic jets: From bare molecules to hydrogen-bonded clusters International-presentation

    2001 Gordon research conference, Photoions:Photoionization and photodetachment　2001/07/08

  38. Microsolvation effects on molecular high Rydberg states International-presentation

    5th. East Asian workshop on chemical reaction　2001/03/23

  39. Ionization / dissociation dynamics of Rydberg states of solvated pyrazine. International-presentation

    2000 International chemical congress of pacific basin societies　2000/12/14

  40. Autoionization-detected infrared (ADIR) spectroscopy of aromatic molecular cations International-presentation

    European Research Conference on “Highly Excited Electronic States”　1999/10/23

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Research Projects 20

  1. 気相モデルクラスターによる生体分子および水における半結合形成の解明

    藤井 朱鳥

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業 基盤研究(A)

    Category: 基盤研究(A)

    Institution: 東北大学

    2021/04/05 - 2025/03/31

    More details Close

    s-pi半結合のモデル系となる(benzene-H2S)+ラジカルクラスターカチオンに対し、水１または２分子およびメタノール１分子によるミクロ溶媒和を行い、これまで全く情報が無かったs-pi半結合のミクロ溶媒和への安定性を赤外分光により調べた。OHおよびSH伸縮振動領域の実測スペクトルと量子化学計算による安定構造探索と赤外スペクトルシミュレーション結果を比較して、ミクロ溶媒和した(benzene-H2S)+ラジカルクラスターカチオンの構造を決定した。その結果、水１分子の付加まではs-pi半結合が保持されるが、水２分子あるいはメタノール１分子の付加により、半結合が切断され、水素結合による構造へと変化することが分かった。これにより、s-pi半結合の溶媒和に対する安定性の初めての知見が得られた。また、この結果により、半結合形成の有無を電子遷移で判定する上での有効な参照系が新たに得られ、次年度以降に予定している電子遷移観測対象の有力な候補を増すことが出来た。 また、本研究の最終的な目標のひとつである水分子の半結合形成能力の解明に関連して、(H2O-Krn)+, (n =1-3)ラジカルクラスターカチオンの赤外分光を行った。OH伸縮振動領域の観測を行い、高精度の非調和振動計算の結果と実測スペクトルを比較することにより、このクラスターにおいては水素結合に優先してH2O+カチオンとKr原子の間に半結合が形成されることを明らかにした。本研究により、水分子が形成する半結合の実験的確証が初めて得られた。

  2. A spectroscopic study on hemibonds in gas phase clusters

    Fujii Asuka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: Tohoku University

    2018/04/01 - 2021/03/31

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    The hemibond is a nonclassical covalent bond, in which three electrons are shared by two centers (atoms). Roles of the hemibond in radiation chemistry and biochemistry have attracted much interest. In the present study, microsolvation effects on the hemibond between hydrogen sulfide were investigated by infrared spectroscopy of model clusters in the gas phase. It was shown that the hemibond is stable to microsolvation by a single water molecules, but solvation by a single alcohol molecule easily breaks the hemibond. In addition, a new type of hemibond was found between hydrogen sulfide and pi electrons of benzene. This hemibond is a good benchmark to test the validity of density functionals to simulate hemibonds.

  3. An infrared spectroscopic study on the excess electron binding motif in the large-sized water clusters

    Fujii Asuka, MAEYAMA TOSHIHIKO, MATSUDA YOSHIYUKI

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: Tohoku University

    2014/04/01 - 2017/03/31

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    Water cluster anions are a model system of the solvated electron. They have two isomer types; one is the interior type, in which the excess electron is trapped in the cavity of the cluster. Another is the surface type, in which the excess electron is bound on the surface. Though the assignment of the isomer types has been performed by infrared and photoelectron spectroscopies, their conclusions have been inconsistent. In the present study, we carried out infrared spectroscopy of large water clusters which hold a cation on their surface through a single contact water molecule. Their hydrogen bond networks are expected to be similar to those of the surface type water cluster anions. In these clusters, the hydrogen bond networks are strongly polarized to stabilize the cation. We discuss the influence of the water network polarization on the infrared spectra. In addition, we try to extend infrared spectroscopy of water cluster anions to the larger size region.

  4. An infrared spectroscopic study on microscopic phase separation in large-sized water-alcohol clusters

    FUJII Asuka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: Tohoku University

    2010 - 2012

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    Infrared spectroscopy was applied to methanol-water mixed clusters to probe microscopic picture of water-alcohol mixture. At the first stage, we studied neutral and protonated methanol clusters, of which structures have not been well established in large sizes. We demonstrated that the clusters form simple cyclic structures (or bicyclic structures in the protonated clusters) in the size range of 10 - 50. At the second stage, we studied structures of methanol-water mixed clusters and confirmed that clathlate structures in which a water molecule is surrounded by methanol molecules are formed at specific sizes.

  5. Extensive hydration structure of amino acids probed by infrared spectroscopy of large-sized clusters

    FUJII Asuka, MAEYAMA Toshihiko, MATSUDA Yoshiyuki

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Priority Areas

    Category: Grant-in-Aid for Scientific Research on Priority Areas

    Institution: Tohoku University

    2007 - 2011

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    Hydrogen bond network structures of neat water is fundamental information to understand hydrated structures of amino acids. We have studied hydrogen bond network structures of water clusters, which have enough sizes (number of molecules) to hydrate the whole body of an amino acid molecule, by size-selective infrared spectroscopy.

  6. Study on large-scaled hydrogen bond network structures of water by infrared spectroscopy of large-sized clusters

    FUJII Asuka, MAEYAMA Toshihiko, MATSUDA Yoshiyuki

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (A)

    Category: Grant-in-Aid for Scientific Research (A)

    Institution: Tohoku University

    2007 - 2009

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    Infrared spectra of size-selected neutral and protonated water clusters have been observed in the size range of n=10-200. The spectra show structural development of the water hydrogen bond network of which size region has not been experimentally explored.

  7. Direct Observation of the Condensed Phase Development Processes by Infrared Spectroscopy of Giant Clusters

    FUJII Asuka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B)

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: Tohoku University

    2005 - 2006

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    We have studied development of hydrogen bond networks in protic solvents such as water and methanol by using molecular clusters as microscopic model systems of their condensed phases, and following results have been obtained. 1.Infrared spectroscopy of size-selected protonated water H^+(H_2O)_n was carried out up to n=100. It showed that a single excess proton totally changes the hydrogen bond structure of surrounding 100 water molecules. 2.Infrared spectroscopy of protonated methanol H^+(MeOH)_n was also performed up to n=15. We demonstrated that the hydrogen bond network structure of protonated methanol is very different from that of protonated water, and it has much simpler structure, of which geometrical development is terminated by formation of the bicyclic structures. 3.Infrared spectra of size-selected methanol-water mixed protonated clusters H^+(MeOH)_2(H_2O)_n were observed. In the two extreme cases, nm and n<<m, were studied, and the following features of the hydrogen bond network were shown. a)In the case of m<<n, a few methanol molecules are compatible with water in the hydrogen bond network, and the same three-dimensional cage structure as that in the protonated water cluster is formed. b)When a small number of water molecules are added to the hydrogen bond network of protonated methanol, structural changes of the network occur, and the proton is transferred from the methanol site to the water site. 4.We also performed infrared spectroscopy of benzene cation clusters solvated by protic solvents such as water, methanol, and ammonia. We observed the solvation structure changes correlated to the proton affinity of the solvent molecule, and we found an intermolecular covalent bond formation between the benzene cation moiety and solvent molecule moiety, which can be regarded as an intermediate in the nucleophilic substitution reaction.

  8. Laser spectroscopic study on hydrogen-bon-network structures of water-solvated clusters

    MIKAMI Naohiko, FUJII Asuka, MAEYAMA Toshihiko, MATSUDA Yoshiyuki

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Specially Promoted Research

    Institution: Tohoku Uniersity

    2004 - 2006

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    In this project, we have been intended to develop a new experimental setup for laser spectroscopic investigation of size-selected hydrogen-bonded clusters, and have been aiming for the molecular-level investigation on structures of water-solvated systems. In this year, we have mostly performed the followings: 1. Instrumental Development : We have established a new instrument for IR dissociation spectroscopy combined with a tandem Q-pole mass analyzer with an Octapole ion guide. The instrument allows us to size-selected spectroscopy of cluster species with mass size of 2000 amu. We also have developed another new spectroscopic method involving laser double resonance techniques combined with IR and the vacuum ultraviolet light. This allows us to perform spectroscopic investigation of cluster structure of fundamental chemical compounds, such as NH_3. 2. Studies on Hydrogen-Bond-Network Structures : By using the new tandem mass analyzer, we have performed the size-selected IR spectroscopy on the hydrogen-bonding network structures of protonated water clusters with the size upto 100-mer. The results represent that the characteristic spectral feature continues even at 100-mer, exhibiting the network structure characterized by the proton core in the clusters. The resulthas been published in an international journal, as a communication paper. Also the spectroscopic studies on network formations of the water/methanol mixture systems have been performed and the results have been published. By using IR-VUV double resonance spectroscopic method, we have investigated cluster structures of non-protonated NH3 as well as the neutrals, which is the first spectroscopic investigation of the species, so that the result has been published as a letter paper. 3. Spectroscopic Investigations on Novel and/or Extremely Week Hydrogen Bonded Systems : We have found a novel hydrogen-bonded clusters involving a compound with a Si-H group for the first time, and the IR spectroscopic investigation combined with theoretical calculations has revealed the clusters are really formed by the di-hydrogen bond, which is known to occur between two hydrogen sites. The result has been published in an international journal.

  9. Study on the catalytic role of hydrogen-bond in the phtoinduoed cis【tautomer】trans isomerization of napththol

    EBATA Takayuki, MIKAMI Naohiko, FUJII Asuka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (B)

    2003 - 2004

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    There are two isomeric forms in naphthol, depending on the orientation of hydroxyl group with respect to the naphthalene ring, which are called cis and trans. The existence of the two rotational isomers was first proposed by Ito and coworkers by uses of laser spectroscopic technique combined with a supersonic jet. Later, Pratt and coworkers assigned them by analyzing rotationally resolved electronic spectrum of jet cooled naphthol. Since then, the possibility of the laser manipulation of cis【tautomer】trans isomerization has been discussed by several researchers. Up to now, however, it has not been realized yet. In this research, we aimed to manipulate the cis【tautomer】trans isomerization for electronically excited by use of UV-IR stepwise excitation in a supersonic jet. First, a specific isomer was selectively excited to the S_1 state with a tunable UV laser pulse. The molecule or cluster in S_1 is further excited to its X-H stretching vibration by the IR laser pulse, where X refers to the C,O or N atom. The energy put in to the X-H stretching vibration is immediately redistributed into other vibrartional modes by IVR, and part of them will flow into the iromerization coordinate. If the energy is large enough to overcome the isomerization barrier, the reaction will occur and the product emits fluorescence. We investigated not only bare molecule but also the hydrogen-bonded clusters and found that the reaction does not occur for bare molecule within the examined energy region up to 3510 cm^<-1>. On the other hand, the reaction occurred at 2900 cm^<-1> for hydrogen-bonded clusters. Such a larger reduction indicates that H-bond acts as a catalyst for the reaction. Furthermore, we fond in the clusters the cis-trans isomerization occurs very efficiently at low IR frequency but the yield decrease rapidly with the energy due to the competition with the dissociation of H-bond within the same isomer. The isomerization occurred both 1- and 2-napthol H-bonded clusters and the barrier height seems to be similar between them. Parallel to the experiments, we performed DFT and time-dependent DFT calculation to obtain the isomerization barrier height and to investigate the effect of H-bond in S_0, S_1 and S_2 states. Thought the calculation predicted large increase of the barrier height in S_1, it failed the decrease of the height upon the H-bond formation. Further calcuation is in progress.

  10. Laser spectroscopic research on unconventional hydrogen bonds involving borane

    FUJII Asuka, MAEYAMA Toshihiko

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (A)

    Category: Grant-in-Aid for Scientific Research (A)

    Institution: Tohoku University

    2002 - 2004

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    1.Geometric structures and the excited-state proton-dislocation in size-selected clusters of salicylic acids (salicylic acid and 5-methoxysalicylic acid) with water or methanol were studied by using laser spectroscopic techniques. Fluorescence excitation, dispersed fluorescence, and infrared (IR) spectra of those clusters in supersonic jets were examined for both the electronic ground and first excited states. The geometric structures of the clusters were determined on the basis of the IR spectra of the OH stretch region with a help of quantum chemical calculations. The hydroxyl group of the water or methanol moiety in the clusters forms a ring involving the carboxylic group of the salicylic acid moiety. The intramolecular hydrogen bond in the salicylic acid moiety is still held upon the cluster formation. The puzzling IR spectra in the electronic excited state were analyzed in combination with a partial deuteration study. The IR spectra in the excited state and dispersed fluorescence spectra indicated that the intramolecular excited state proton dislocation is hardly affected by the microsolvation with water or methanol, in contrast with the strong suppression of the dislocation in the self-salvation. A drastic reduction of the acidity of the carboxylic OH upon the electronic excitation was also found. 2.Substitution effects on the excited state intramolecular proton transfer (ESIPT) in the salicylic acid (SA) frame were studied by electronic and infrared spectroscopy of jet-cooled 5-methoxylsalicylic acid (5-McOSA), 5-methylsalicylic acid (5-MeSA), 5-fluorosalicylic acid (5-FSA), 6-fluorosalicylie acid (6-FSA), and methyl salicylate (MS). Infrared spectra were measured in the 3 mm region for both the electronic ground (S_0) and first excited (S_1) states. The electronic excitation/emission spectra of 5-MeSA and 6-FSA showed the typical spectral features of ESIPT, which have been found in the spectra of SA. On the other hand, 5-MeOSA and 5-FSA exhibit a mirror-image relation between their excitation and emission spectra, which has been regarded as a result of the suppression of ESIPT. Despite of such a remarkable difference among the electronic spectra, IR spectroscopy exhibits that a drastic change of the phenolic OH stretching vibration does occur upon the electronic excitation of all the substituted SAs, that is, the phenolic OH band of all the SAs disappears from the 3 mm region, indicating a large elongation of the phenolic O-H bond (over 0.1 Å) in S_1. This result represents that the intramolecular hydrogen-bond strength is remarkably enhanced upon the electronic excitation in all the substituted SAs. Substitution effects on ESIPT in dimers are also discussed.

  11. An infrared spectroscopic study on CH/π Ieractions in molecular clusters

    FUJII Asuka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (C)

    Category: Grant-in-Aid for Scientific Research (C)

    Institution: Tohoku university

    2002 - 2003

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    CH stretching vibrations of jet-cooled benzene-acetylene and several aromatics-acetylene clusters were observed for the characterization of the intermolecular interaction, so-called activated CH/π interaction between the acidic CH group and π-electrons, under the well-defined condition. The infrared-ultraviolet double resonance spectroscopic techniques were used to measure Infrared spectra of the jet-cooled clusters. The antisymmetric CH stretching vibration of the acetylene moiety exhibits substantial low-frequency shifts upon the cluster formation with the aromatic molecules, indicating such cluster structures that acetylenic CH Is bound to the π-electrons of the aromatic ring. The magnitude of the low-frequency shifts Increased with increase of the π-electron density of the ring, as expected for an ordinary π-hydrogen bond. On the other hand, the polarizability of the proton accepting molecules showed a weakly negative correlation with the CN frequency shifts.

  12. Development of multidimensional mass spectrometry combined with laser photodissociation spectroscopy

    MIKAMI Naohiko, ABE Naomichi, FUJI Asuka

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: TOHOKU UNIVERSITY

    1998 - 1999

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    We have developed a new equipment for spectroscopic measurements of size-selected molecular cluster ions, as well as molecular fragment ions. The setup consists of a supersonic molecular beam source, and ionization section, a Q-pole mass filter for size-selection, an ion trap cell combined with laser photodissociation section, and a second Q-pole mass analyzer with a ion detector. With this setup, spectroscopic measurements for electronic and vibrational transitions of cations can be performed. Major results at the present stage of the project are the following : 1. A new infrared (IR) spectroscopic technique for jet-cooled molecular cations is developed. The method involves two-color laser excitation via neural excited state to high Rydberg states, vibrational excitation of its ion core with IR light, and vibrational autoionization of the ion core. It has been applied for the several compounds ; (1) Observation of OH stretching vibrations of substituted phenol cations to investigate intramolecular hydrogen bonds in ionic states. (2) Observation of CH stretching vibrations of aromatic hydrocarbon cations to study the inaccessible vibrational levels with conventional methods. 2. IR-UV double resonance spectroscopy of size-selected molecular clusters is established for the investigation of their intermolecular binding structures in combination with ab initio quantum mechanical calculations. (1) Vibrational spectroscopy and cluster structures of 2-pyridone and its clusters. (2) Structure and vibrational relaxation of benzonitril clusters with various molecules. (3) Structural investigations of benzyl alcohol rotomers and of its water solvated clusters.

  13. Development of picosecond IR-UV pump probe spectroscopy for molecular clusters

    EBATA Takayuki, FUJII Asuka, MIKAMI Naohiko

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for Scientific Research (B)

    Institution: TOHOKU UNIVERSITY

    1998 - 1999

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    An experimental setup for the picosecond IR-UV double resonance spectroscopy has been constructed. The setup was developed to study the vibrational relaxation of molecular clusters formed in a supersonic beam. The setup consists of a mode-locked picosecond Nd:YAG laser and an opto-parametric system. A fundamental of the Nd:YAG laser is converted to 3 μm by OPG with the use of nonlinear crystal, which is used to pump the clusters to the CH or OH stretching vibration. A picosecond tunable UV light was also generated by the OPG system, which is used to monitor the vibratinally excited clusters by resonant enhance ionization. The two laser pulses were irradiated to the clusters in the supersonic beam. By changing the delay time between the IR and the UV pulses, the time profiles of the vibratinally excited states were monitored. It was found that the OH stretching vibration of phenol is 15 picoseconds and those its clusters are much faster.

  14. Development of Autoionization-Detected Infrared Spectroscopy for Molecular Cations

    FUJII Asuka, MIKAMI Naohiko

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (C)

    Category: Grant-in-Aid for Scientific Research (C)

    Institution: Tohoku University

    1997 - 1998

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    A new technique for infrared spectroscopy of isolated bare molecular ions in a supersonic jet was developed. High Rydberg states, of which ion core has the same structure as the corresponding bare ion, were state-selectively pumped by two-color double resonance excitation. Infrared absorption of the ion core was measured by detecting molecular ions produced by vibrational autoionization. By using this technique, which is called "autoionization-detected infrared (ADIR) spectroscopy", the following results have been obtained ; (a) The OH stretching vibrations of fluorophenol and methoxyphenol cations were observed, providing the first direct evidence for intramolecular hydrogen bonds in molecular cations. (b) The OH stretching vibration of the cresol cation was observed, and it was found that the OH frequency showed clear dependence on the orientation to the neighboring methyl group. This result indicates the presence of a new type of intramolecular hydrogen bonding between the hydroxyl and methyl groups. (c) The first observation of CH stretching vibrations in aromatic cations were performed. The aromatic and alkyl CH stretches in the ethyiphenol cation were observed, and the aromatic CH showed high-frequency shifts upon the ionization.

  15. 赤外分光法による孤立気相状態における分子内水素結合の研究

    藤井 朱鳥

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業 奨励研究(A)

    Category: 奨励研究(A)

    Institution: 東北大学

    1995 - 1995

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    本研究の目的は近年開発された孤立気相分子・クラスターに対する赤外分光法を分子内水素結合を持つ化合物に適用し、OH伸縮振動の観測により孤立条件下における分子内水素結合の様相を明らかにするとともに、クラスター形成によるその変化を溶媒和との関連において微視的に理解することである。研究対象には分子内水素結合をもつ代表的な分子であるトロポロンを選び、単体に加えてトロポロン-水、-メタノールクラスターのOH振動領域赤外スペクトルを超音速ジェット中の孤立気相状態で観測した。 トロポロン単体の赤外スペクトルにはOH振動は観測されず、これは分子内水素結合の影響であると考えられる。水及びメタノールとのクラスターはともに溶媒分子による強いOH振動バンドを示すが、小サイズのクラスターでは依然としてトロポロンのOH振動はスペクトルに現れず、溶媒分子との水素結合形成にも関わらず、分子内水素結合が保持されているものと解釈された。水が3分子、メタノールでは2分子が付着すると、トロポロンのOH振動バンドが現れ始め、分子内水素結合が切れて分子間のそれへと変化していることが分かった。これは水溶液中におけるトロポロンの弱酸性がこのサイズの溶媒和で発現し始めていることを示している。

  16. 分子クラスターイオン構造研究のための高感度赤外分光法の開発

    藤井 朱鳥

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業 一般研究(C)

    Category: 一般研究(C)

    Institution: 東北大学

    1994 - 1994

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    分子クラスターイオンは、イオンの溶媒和を分子レベルで理解する上で重要な情報を与えるものであり、その構造の解明が期待されている。分子構造の研究においては、赤外分光法が最も強力な手段の一つである。しかし、クラスターイオンへの適用は、クラスターイオンの生成とサイズ選別、そして微弱な赤外吸収の検出等の様々な困難のため、非常に研究例が少ない。そこで本研究では、新たな高感度赤外分光法の開発を行った。 クラスターイオンは、従来の様に中性クラスターを光イオン化させるのではなく、単分子をイオン化した後に、細管中で溶媒分子と衝突させることにより生成させた。この方法により、クラスターイオンの生成量を従来より一桁以上増加させた。クラスターイオンのサイズを選択するために、イオントラップ法を用いた。クラスターイオンはかご型のセルに導入され、ラジオ周波数の交流電場をセルに印加する。電場の強度を調整することにより、特定のサイズのクラスターイオンのみを選択してトラップ中に封じ込めた。差周波法により発生させた波長可変赤外レーザー光をイオントラップセル入射し、多光子吸収による解離フラグメントを検出した。この方法により、ごくわずかな赤外吸収を感度良く捉えることが出来、クラスターイオンの赤外吸収スペクトルの観測が可能となった。 具体的な系としては、「フェノール・水」水素結合クラスターイオンを選び、そのOH伸縮振動の赤外分光を行った。フェノールイオンに付着する水分子の数を1-4個と変化させて、それぞれの赤外吸収スペクトルを観測した。スペクトルの解析から、付着する水分子の数が3個以上となると、フェノールイオンから水クラスターヘプロトンが移動反応が起きることが分かった。

  17. 多重共鳴法による高軌道角運動リドベルグ状態の観測

    藤井 朱鳥

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業 奨励研究(A)

    Category: 奨励研究(A)

    Institution: 東北大学

    1993 - 1993

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    レーザー多光子イオン化分光法により、NO分子の高電子軌道角運動量状態、ngリドベルグ状態(n=11-67,v=0,1)を観測することに成功した。電子雲の重なりがないため基底状態からの遷移確率が全くない高電子角軌道運動量状態を励起するため、三波長三重共鳴法を用いた。具体的には、まず第1のレーザー光によりNO分子を基底状態からA状態へ励起し、続いて第2のレーザー光により4fリドベルグ状態へと励起する。そして第3のレーザー光により4f状態からngリドベルグ状態へと励起を行った。ng←4f遷移はリドベルグ状態間での遷移であるので、フランク・コンドン因子によりDELTAv=0の振動選択則が厳しく働く。これに4f状態で単一回転準位を選んでることから角運動量選択則による制限が加わり、状態密度が非常に高いエネルギー領域であるにも関わらず、単一回転準位まで分離して観測することが可能になった。 観測されたエネルギー準位は長距離力モデルを用いた理論計算により実験誤差の範囲内で完全に再現され、このモデルの高軌道角運動量状態に対する有効性を実証した。 高軌道角運動量状態の動力学に関して、理論的予測が為されていた高速自動イオン化過程の存在が、初めて実証的に確認された。イオン化強度の時間変化から自動イオン化速度が見積もられ、理論値と良い一致をみた。また、今まで全く予想されていなかった前期解離過程の存在が発見され、高電子軌道角運動量状態においても前期解離の果たす役割が無視し得ないことが分かった。 本研究は高い主量子数の高電子軌道角運動量状態を状態選択的に調べた初めての例であり、ゼロ運動エネルギー光電子分光法や星間化学的、高電子軌道角運動量状態が重要な役割を果たしている諸分野に基礎的な情報を与えた。

  18. Basic Science Research by High Intensity Meson Beams

    YAMAZAKI Toshimitsu, ITO Yasuo, MORITA Norio, FUJII Asuka, SUGAI Isao, TANAKA Masahiko, TAMURA Hirokazu, OUTA Haruhiko, MATSUOKA Nobuyuki, OKIHANA Akira, IEIRI Shyoji, BREWER J.H., KIENLE P., EADES J., KATAYAMA Takeshi, KADONO Ryosuke, IWASAKI Masahiko, HAYANO Ryugo, MOTOKAWA Mitsuhiro, IKEHATA Seiichiro, YAMAZAKI Yasunori, TORIKAI Eiko, NISHIDA Nobuhiko, SAKAMOTO Shinichi, NISHIYAMA Kusuo, NAGAMINE Kanetada, EBERHARD Widmann

    Offer Organization: Japan Society for the Promotion of Science

    System: Grants-in-Aid for Scientific Research

    Category: Grant-in-Aid for international Scientific Research

    Institution: Institute for Nuclear Study, University of Tokyo

    1992 - 1993

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    Experiments on laser resonance spectroscopy on metastable antiprotonic atoms were carried out at CERN. When a pulsed laser with an energy matched to a transition from a metastable state to a short lived state is fired after the arrival of an antiproton, a sharp spike is expected to appear on a delayed part of the antiproton annihilation time spectrum. We used the antiproton beam of 200MeV/c from the Low Energy Antiproton Ring (LEAR) of CERN. We discovered a sharp spike at a laser wave length of 597.26nm which was assigned to a resonance transition from the (n, iota) =(39, 35) to the (38, 34) state. Thus, we have established that the metastability of antiprotons in helium arises from the metastable states of the neutral antiprotonic helium atomcule. Regarding the search for deeply-bound pionic atoms we prepared an experiment to be done at GSI in collaboration with a group in Germany. Various experiments were carried out at the TRIUMF muon facilities. One of the purposes of this project is to obtain the basic understanding of high Tc superconductors, especially the role of the copper-oxide layer structure and the contribution of oxygen to the superconductivity. Since the intense negative muon channel at TRIUMF was built by the collaboration between UTMSL and TRIUMF, the negative muon spin rotation method (mu^-SR) has been intensively applied to this subject. By using a single crystal of good quality, precise paramagnetic shift was obtained on the LaSrCuO system with its dependence on temperature, on dopant concentration and on magnetic field direction with respect to the crystal axis. The relaxation of negative muonic oxygen (mu^-O) has also been studied to get the dynamic aspect of the electron spin. One remarkable achievement is the success of the separation of mu^-O signals for different oxygen sites, which gives the hints for the role of oxygen. Also for water knowledge of chemical state of mu^-O can be obtained. For the basic understanding of mu^-O in metal oxides, the study of mu^-O in 3d transition metal oxides is inevitable. The study is performed on various 3d-transition metal oxides, especially the precise measurement of temperature dependence of paramagnetic shift in MnO reveals an interesting local magnetic ordering. Some of these achievements were reported at the muSR international conference in Maui.

  19. 二原子分子の超励起状態における解離過程の直接観測

    藤井 朱鳥

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業 奨励研究(A)

    Category: 奨励研究(A)

    Institution: 岡崎国立共同研究機構

    1992 - 1992

  20. 多段階励起による分子の2電子励起状態の観測

    藤井 朱鳥

    Offer Organization: 日本学術振興会

    System: 科学研究費助成事業 奨励研究(A)

    Category: 奨励研究(A)

    Institution: 岡崎国立共同研究機構

    1991 - 1991

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Social Activities 3

  1. 第３１回教師のための化学教育講座

    2008/08/08 - 2008/08/09

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    中学・高校の化学教師を対象とした研修プログラムにおける講演

  2. 分子科学若手の会 夏の学校 講師

    2007/08/20 - 2007/08/24

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    分子科学研究の大学院生が集まる夏の学校で２０時間の講義を行った

  3. 出前授業

    2012/11/19 -

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    「光を分ける～手作り分光器で虹を見よう～」と題する授業を３回行った