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Is the large molecular deformation in TICTphenomenon really twisting mode?

Is the large molecular deformation in TICTphenomenon really twisting mode?
TICT现象中的大分子变形真的是扭曲模式吗?
批准号:
10640500
负责人:
OKUYAMA Katsuhiko
金额:
$1.73万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Scientific Research (C)
财政年份:
1998
资助国家:
日本
项目状态:
已结题
起止时间:
1998 至 1999

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中文摘要
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英文摘要
TICT phenomenon was firstly observed by E. Lipert et al at 1962. The interpretation and nomenclature was carried out by K. Rotkiewicz et al at 1973. Many world-wide scientists have as far confirmed it in many aromatic molecules consisting of donor and acceptor chromophers. Its concept has once seemed to be established. We have, however, thought it doubtful whether the large molecular deformation in TICT phenomenon is really twisting mode, although we could have recognized 'large deformation and charge transfer process' in the interpretation. With help of the Grant-in-Aid for Scientific Research (C)(2), the check investigation has been carried out for two years. Using a supersonic-jet laser spectroscopy we observed the S_0-S_1 electronic transitions of some of representative TICT molecules. The detail analysis of them should lead to the elucidation on the basis of the following idea, the S_1 and TICT states vibronically and mutually interact because of their energetic proximity. As a result, we observed the tangle vibronic pattern, indicating the electronic-state mixing, in the S_0-S_1 electronic transitions of jet-cooled p-cyanophenylpyrrol. The analysis leads to two conclusions,1. Upon the electronic excitation, the dihedral angle between the pyrrol and benzonitrile planes decreases from 39 to 20 degrees.2. Large deformation occurs along the direction in the 394 cm^<-1> vibrational coordinate.The explicit vibronic assignment of the mode has not yet completed and in progress.
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奥山克彦: "Large-amplitude torsional potentials and the S_2-S_0 electronic spectra of 2-and 6-phenylazulenes"The Journal of Chemical Physics, (アメリカ物理協会誌AIP). (投稿中).
Katsuhiko Okuyama:“2-和 6-苯基薁烯的大振幅扭转势和 S_2-S_0 电子光谱”《化学物理杂志》(AIP)(进行中)。
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Katsuhiko OKUYAMA et al.: "Electronic spectra of jet-cooled 1-phenylpyrrole : Large-amplitude torsional motion and twisted intramolecular charge-transfer phenomenon"The Journal of Chemical Physics. 109(17). 7185-7196 (1998)
Katsuhiko OKUYAMA 等人:“喷射冷却 1-苯基吡咯的电子光谱:大振幅扭转运动和扭曲分子内电荷转移现象”《化学物理杂志》。
DOI: --
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通讯作者:
奥山克彦: "Electronic spectra of jet-cooled 1-phenylpyrrole : large-amplitude torsional motion and twisted intramolecular charge-transfer phenomenon"The Journal of Chemical Physics, (アメリカ物理協会誌AIP). 109(17). 7185-7196 (1998)
Katsuhiko Okuyama:“喷射冷却 1-苯基吡咯的电子光谱:大振幅扭转运动和扭曲分子内电荷转移现象”,化学物理杂志,(AIP) 109(17) (1998)。
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通讯作者:
Katsuhiko OKUYAMA et al.: "Large-amplitude torsional potentials and the S_2-S_0 electronic spectra of 2- and 6-phenylazulenes"Submitted to The Journal of Chemical.
Katsuhiko OKUYAMA 等人:“2- 和 6-苯基薁烯的大振幅扭转势和 S_2-S_0 电子光谱”提交给《化学杂志》。
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7
    The in-situ separation of tritium oxide by the vibrationally-selective excitation
    • 批准号:
      26620017
    • 项目类别:
      Grant-in-Aid for Challenging Exploratory Research
    • 资助金额:
      $2.58万
    • 财政年份:
      2014
    • 负责人:
      OKUYAMA Katsuhiko
    • 依托单位: