Energy Transfer of Excited Normal Modes in H2X(X=O, S)

Chem. J. Chinese Universities ›› 1998, Vol. 19 ›› Issue (6): 950.

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Energy Transfer of Excited Normal Modes in H₂X(X=O, S)

LI Shen-Min¹, WANG Ming-Liang¹, CONG Yao¹, YANG Zhong-Zhi²

1. National Key Laboratory of Computational Theoretical Chemistry, Jilin University, Changchun, 130013;
2. Department of Chemistry, Liaoning Normal University, Dalian, 116029

Received:1997-08-08 Online:1998-06-24 Published:1998-06-24

Abstract

Abstract: Qausiclassical trajectories QCThave been used to investigate energy transfer of various excited H—X(X=O,S) stretching and H—X—H bending normal modes in H₂O and H₂S, respectively. Average energy in each normal mode as a function of time is obtained. The results demonstrate that only those modes with frequencies close to or with the same vibrational symmetry as that of the excited mode participate in the energy transfer.

Key words: Normal mode, Local mode, Energy transfer, QCT method, Hessian matrix

CLC Number:

O641.12

TrendMD:

LI Shen-Min, WANG Ming-Liang, CONG Yao, YANG Zhong-Zhi . Energy Transfer of Excited Normal Modes in H₂X(X=O, S)[J]. Chem. J. Chinese Universities, 1998, 19(6): 950.

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Energy Transfer of Excited Normal Modes in H₂X(X=O, S)

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