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A study of vibronic effects: investigation on the deformation of electronic wavefunctions caused by molecular vibration

Research Project

Project/Area Number 15H03761
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionTohoku University

Principal Investigator

Watanabe Noboru  東北大学, 多元物質科学研究所, 准教授 (90312660)

Research Collaborator Filippo Morini  
Project Period (FY) 2015-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥14,560,000 (Direct Cost: ¥11,200,000、Indirect Cost: ¥3,360,000)
Fiscal Year 2017: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2016: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2015: ¥7,020,000 (Direct Cost: ¥5,400,000、Indirect Cost: ¥1,620,000)
Keywords原子・分子物理 / 電子分光 / 化学物理 / 振電相互作用
Outline of Final Research Achievements

Coupling between electronic and nuclear motion in molecule plays important roles in various reaction processes. To investigate the vibronic effects, we have developed a method to visualize the deformation of electronic wave functions caused by molecular vibration using high-energy electron-impact ionization experiments. Furthermore, electron energy loss spectroscopy studies have been performed to elucidate how the electronic excited states are coupled to each other via molecular vibration and how the coupling affects electronic transition probabilities.

Academic Significance and Societal Importance of the Research Achievements

分子の反応性が特定の分子軌道の形状に支配されることは良く知られているが、それら軌道は実際には分子振動により刻々と変化している。軌道形状の変化は分子の反応性に影響を与えるだろう。特に、多くの分子が振動励起しているプラズマ中や惑星大気中などの高温環境下において、その効果はより顕著となる。分子振動に伴う電子波動関数の歪みを可視化した本研究は、多様な環境下における反応の理解に資するとともに、新たらしい振電相互作用概念の創出に向けた貴重な一歩になるものと信じる。

Report

(4 results)
  • 2018 Final Research Report ( PDF )
  • 2017 Annual Research Report
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • Research Products

    (35 results)

All 2018 2017 2016 2015 Other

All Int'l Joint Research (3 results) Journal Article (10 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 10 results,  Open Access: 1 results,  Acknowledgement Compliant: 3 results) Presentation (22 results) (of which Int'l Joint Research: 12 results,  Invited: 1 results)

  • [Int'l Joint Research] Hasselt University(ベルギー)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] Univ. of Science and Technology of China(中国)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] Hasselt University(ベルギー)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Stereodynamics of electron-induced dissociative ionization of N2 studied by (e, e+ion) spectroscopy2018

    • Author(s)
      N. Watanabe, S. Yamada, M. Takahashi
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 2 Pages: 1063-1071

    • DOI

      10.1039/c7cp06753d

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Development of an electron-ion coincidence apparatus for molecular-frame electron energy loss spectroscopy studies2018

    • Author(s)
      Noboru Watanabe, Tsukasa Hirayama, So Yamada, Masahiko Takahashi
    • Journal Title

      Review of Scientific Instruments

      Volume: 89 Issue: 4

    • DOI

      10.1063/1.5025773

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular-frame electron-scattering experiment on the dipole-forbidden 2σg→1πg transition of N22017

    • Author(s)
      N. Watanabe, S. Yamada, M. Takahashi
    • Journal Title

      Physical Review A

      Volume: 95 Issue: 6 Pages: 060702-060702

    • DOI

      10.1103/physreva.95.060702

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular-frame EELS experiment on inner-valence ionization of N22017

    • Author(s)
      Noboru Watanabe, So Yamada, Masahiko Takahashi
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 875 Pages: 062022-062022

    • DOI

      10.1088/1742-6596/875/7/062022

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Influence of molecular vibrations on the valence electron momentum distributions of adamantane2017

    • Author(s)
      F. Morini, N. Watanabe, M. Kojima, M. S. Deleuze, M. Takahashi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 146 Issue: 9

    • DOI

      10.1063/1.4977060

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Electron Momentum Spectroscopy Investigation of Molecular Conformations of Ethanol Considering Vibrational Effects2017

    • Author(s)
      Y. Tang, X. Shan, S. Niu, Z. Liu, E. Wang, N. Watanabe, M. Yamazaki, M. Takahashi, X. Chen
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 121 Issue: 1 Pages: 277-287

    • DOI

      10.1021/acs.jpca.6b10009

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Interference effects on (e, 2e) electron momentum profiles: a comparative study for CCl4 and CF42016

    • Author(s)
      N. Watanabe, K. Katafuchi, M. Yamazaki, M. Takahashi
    • Journal Title

      The European Physical Journal D

      Volume: 70 Issue: 12 Pages: 268-274

    • DOI

      10.1140/epjd/e2016-70516-7

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Vibrational Effects on Electron Momentum Distributions of Outer-Valence Orbitals of Oxetane2016

    • Author(s)
      Y. Tang, X. Shan, J. Yang, S. Niu, Z. Zhang, N. Watanabe, M. Yamazaki, M. Takahashi, X. Chen
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 120 Issue: 34 Pages: 6855-6863

    • DOI

      10.1021/acs.jpca.6b06706

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Relationship between interference pattern and molecular orbital shape in (e, 2e) electron momentum profiles of SF62016

    • Author(s)
      N. Watanabe, M. Yamazaki, M. Takahashi
    • Journal Title

      Journal of Electron Spectroscopy and Related Phenomena

      Volume: 209 Pages: 78-86

    • DOI

      10.1016/j.elspec.2016.04.004

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state2015

    • Author(s)
      F. Morini, N. Watanabe, M. Kojima, M. S. Deleuze, M. Takahashi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 143 Issue: 13

    • DOI

      10.1063/1.4931918

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Presentation] Angle-resolved EELS studies on vibronic coupling effects and electron-impact induced ionization dynamics2017

    • Author(s)
      Noboru Watanabe, Masahiko Takahashi
    • Organizer
      3rd Computational Chemistry Symposium (The main symposium of 13th international conference of computational methods in science and engineering)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] An electron momentum spectroscopy study for finding the range of the validity of the plane wave impulse approximation (I)2017

    • Author(s)
      Isao Nakajima, Masakazu Yamazaki, Noboru Watanabe, Masahiko Takahashi
    • Organizer
      33rd Symposium on Chemical Kinetics and Dynamics
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular-frame EELS experiment on electron-impact ionization of N22017

    • Author(s)
      Noboru Watanabe, So Yamada, Masahiko Takahashi
    • Organizer
      33rd Symposium on Chemical Kinetics and Dynamics
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] An electron momentum spectroscopy study for elucidating the range of the validity of the plane wave impulse approximation2017

    • Author(s)
      Isao Nakajima, Masakazu Yamazaki, Noboru Watanabe, Masahiko Takahashi
    • Organizer
      XXX International Conference on Photonic, Electronic and Atomic Collisions
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular-frame EELS experiment on inner-valence ionization of N22017

    • Author(s)
      Noboru Watanabe, So Yamada, Masahiko Takahashi
    • Organizer
      XXX International Conference on Photonic
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relationship between interference pattern and molecular orbital shape: a binary (e, 2e) study on SF62017

    • Author(s)
      Noboru Watanabe, Masakazu Yamazaki, Masahiko Takahashi
    • Organizer
      XXX International Conference on Photonic, Electronic and Atomic Collisions,
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A binary (e, 2e) spectroscopy study for elucidating the range of the validity of the plane wave impulse approximation2017

    • Author(s)
      Isao Nakajima, Masakazu Yamazaki, Noboru Watanabe, Masahiko Takahashi
    • Organizer
      International Symposium on (e,2e), Double Photo-ionization, and Related Topics 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Inner-valence ionization of N2 studied by molecular-frame EELS experiments2017

    • Author(s)
      Noboru Watanabe, So Yamada, Masahiko Takahashi
    • Organizer
      International Symposium on (e,2e), Double Photo-ionization, and Related Topics 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relationship between interference pattern and molecular orbital shape: an electron momentum spectroscopy study on SF62017

    • Author(s)
      Noboru Watanabe, Masakazu Yamazaki, Masahiko Takahashi
    • Organizer
      International Symposium on (e,2e), Double Photo-ionization, and Related Topics 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 希ガス原子の電子運動量分光:平面波撃力近似の適用範囲の探索(II)2017

    • Author(s)
      中島功雄、山崎優一、渡邉昇、高橋正彦
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 分子座標系におけるN2の電子非弾性散乱断面積の測定2017

    • Author(s)
      渡邉昇、山田聡、高橋正彦
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 蟻酸メチルの電子運動量分布に対する分子振動の影響2017

    • Author(s)
      佐藤公洋、渡邉昇、山﨑優一、高橋正彦
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 解離イオン同時計測EELSを用いたN2のinner valenceイオン化の研究2016

    • Author(s)
      渡邉昇、山田聡、高橋正彦
    • Organizer
      原子衝突学会第41回年会
    • Place of Presentation
      富山大学(富山県富山市)
    • Year and Date
      2016-12-10
    • Related Report
      2016 Annual Research Report
  • [Presentation] 解離イオン同時計測EELSを用いた二原子分子のinner valenceイオン化の研究2016

    • Author(s)
      渡邉昇、山田聡、高橋正彦
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] CO2、エチレン及びブタジエンのπ軌道の電子運動量分布の比較研究2016

    • Author(s)
      中島功雄、山崎優一、渡邉昇、高橋正彦
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] A comparative study on electron momentum profiles of the π orbitals of CO2 , ethylene and 1,3-butadiene2016

    • Author(s)
      I. Nakajima, M. Yamazaki, N. Watanabe, M. Takahashi
    • Organizer
      12th Asian International Seminar on Atomic and Molecular Physics (AISAMP12)
    • Place of Presentation
      Changchun (China)
    • Year and Date
      2016-09-06
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Vibrational effects on electron momentum distributions of dimethyl ether2016

    • Author(s)
      M. Kojima, N. Watanabe, F. Morini, M. S. Deleuze, M. Takahashi
    • Organizer
      12th Asian International Seminar on Atomic and Molecular Physics (AISAMP12)
    • Place of Presentation
      Changchun (China)
    • Year and Date
      2016-09-06
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Electron-impact induced inner-valence ionization of N2 and O2 studied by electron-ion coincidence spectroscopy2016

    • Author(s)
      N. Watanabe, S. Yamada, M. Takahashi
    • Organizer
      32nd Symposium on Chemical Kinetics and Dynamics
    • Place of Presentation
      大宮ソニックシティ(埼玉県さいたま市)
    • Year and Date
      2016-06-01
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 解離イオン同時計測EELS実験による二原子分子の価電子イオン化の研究2015

    • Author(s)
      山田聡、渡邉昇、平山司、高橋正彦
    • Organizer
      第15回東北大学多元物質科学研究所研究発表会
    • Place of Presentation
      東北大学(宮城県仙台市)
    • Year and Date
      2015-12-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] 解離イオン同時計測EELS装置を用いたN2とO2の価電子イオン化の研究2015

    • Author(s)
      山田聡、渡邉昇、平山司、高橋正彦
    • Organizer
      原子衝突学会第40回年回
    • Place of Presentation
      首都大学東京(東京都八王子市)
    • Year and Date
      2015-09-28
    • Related Report
      2015 Annual Research Report
  • [Presentation] ジメチルエーテルの電子運動量分布に対する分子振動の影響2015

    • Author(s)
      小島唱孝、渡邉昇、F. Morini、M. S. Deleuze、高橋正彦
    • Organizer
      原子衝突学会第40回年回
    • Place of Presentation
      首都大学東京(東京都八王子市)
    • Year and Date
      2015-09-28
    • Related Report
      2015 Annual Research Report
  • [Presentation] 解離イオン同時計測EELS実験によるN2とO2の価電子イオン化の研究2015

    • Author(s)
      山田聡、渡邉昇、平山司、高橋正彦
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学(東京都目黒区)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report

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Published: 2015-04-16   Modified: 2020-03-30  

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