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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？

基本信息

批准号：
10640500
负责人：
OKUYAMA Katsuhiko
金额：
$ 1.73万
依托单位：
Nihon University
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
起止时间：
1998 至 1999
项目状态：
已结题

项目摘要

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.

TICT现象是由E. Lipert et al，1962年。解释和命名由K. Rotkiewicz等人，1973年。迄今为止，许多世界范围内的科学家已经在许多由供体和受体发色团组成的芳香分子中证实了这一点。它的概念一度似乎已经确立。尽管我们在解释中可以认识到“大变形和电荷转移过程”，但我们对TICT现象中的大分子变形是否真的是扭转模仍持怀疑态度。在科学研究补助金（C）（2）的帮助下，检查调查已经进行了两年。用超声射流激光光谱法观察了几种典型的TICT分子的S_0-S_1电子跃迁。通过对它们的详细分析，可以说明：S_1态和TICT态由于能量接近而相互振动和相互作用。结果表明，在喷流冷却的对氰基苯基吡咯的S_0-S_1电子跃迁中，我们观察到了缠结的电子振动模式，表明电子-态混合。分析得出两个结论，1.在电子激发时，吡咯和苯甲腈平面之间的二面角从39度减小到20度。在394 cm^振动坐标方向上发生了沿着方向的大变形<-1>，模式的显式振动指派尚未完成，正在进行中。