Study on local mode vibrations of molecular vibrational excitation states in CH4,SiH4 and GeH4 with quasiclassical trajectory method

被引：0
|
作者：
杨忠志
李慎敏
唐敖庆
机构：
[1] Department of Chemistry,Liaoning Normal University,Dalian 116022,China
[2] Institute of Theoretical Chemistry,Jilin University,Changchun 130023,China
来源：
Science in China(Series B) | 1995年 / 08期
基金：
中国国家自然科学基金;
关键词：
quasiclassical trajectory method; local mode; normal mode;
D O I：
暂无
中图分类号：
O621.1 [有机化学理论、物理有机化学];
学科分类号：
摘要：
By using the quasiclassical trajectory method,changes of normal and local mode vibrationalexcitation energies with time are investigated for XH（X=C,Si,Ge） molecules.The results demonstrate thatin a CHmolecule the coupling between C—H stretching vibration and H—C—H bending vibration is relative-ly large so that the energy transfer is fast;while in SiHor GeHmolecules this coupling is relativelysmall and thus an obvious energy relaxation is observed.This implies that there exists approximate local modevibrations for certain vibrational excitation states.
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页码：912 / 919
页数：8
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