IMPORTANCE OF COMPLEX-MODE COLLISIONS IN THE VIBRATIONAL-RELAXATION OF STRONGLY ATTRACTING MOLECULES - THE H2O-HCL(UPSILON=1) SYSTEM

被引：3

作者：

SHIN, HK

机构：

[1] Department of Chemistry, University of Nevada, Reno

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 216卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(93)E1265-I

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The deexcitation of HCI(v=1) in the H2O-HCl interaction is studied at thermal collision energies using classical trajectory techniques. In the presence of strong attraction, the collision partners form a complex, and the initial vibrational energy flows freely among various internal modes in the complex. When the complex redissociates, the major portion of the energy is found to localize in the rotational motion of HCI. This study establishes the occurrence of vibrational relaxation in complex-mode collisions and the main energy transfer pathway to be vibration-to-rotation in the complex. Energy transfer is found to be inefficient in direct-mode collisions.

引用

页码：27 / 33

页数：7

共 29 条

[1] HYDROGEN-BONDED COMPLEXES OF HCL WITH CO, C2H2, C2H4, PH3, H2S, HCN, H2O AND NH3 - CORRELATED QUANTUM CHEMICAL CALCULATIONS OF GEOMETRIES, ENERGETICS, VIBRATIONAL FREQUENCIES AND CL-35 QUADRUPOLE COUPLING-CONSTANTS [J].