Effects of rovibrational excitation of LiH on the LiH depletion and H exchange channels for the reaction H (2S) + LiH (X1Σ+) on a new potential energy surface

被引：5

作者：

Wang, Xiaolin ^{[1
,2
]}

Zheng, Yujun ^{[1
]}

Yang, Huan ^{[1
]}

机构：

[1] Shandong Univ, Sch Phys, Jinan 250100, Peoples R China

[2] Weifang Univ, Sch Phys & Optoelect Engn, Weifang 261061, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2020年 / 740卷

基金：

中国国家自然科学基金;

关键词：

QCT; Vibrational excitation; Rotational excitation; PES; POTENTIAL-ENERGY SURFACE; WAVE-PACKET DYNAMICS; PLUS LIH; H+HLI SCATTERING; LITHIUM CHEMISTRY; EARLY UNIVERSE; RATE CONSTANTS; STATE; RESONANCES; SYSTEM;

D O I：

10.1016/j.cplett.2019.137043

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 quasiclassical trajectory method is used to calculate the dynamics of the reaction H + LiH for both reaction channels. The initial state-selected and energy-resolved integral cross-sections, differential cross-sections, and state distributions of the products are investigated in the collision energy range 0.02-0.56 eV. Results show that both vibrational and rotational excitations reduce the reactivity of the LiH depletion (R1) channel but promote that of the H exchange (R2) channel. Forward scattering is prominent in the R1 channel, but backscattering is slightly favored in the R2 channel. The influence of vibrational excitation is reduced M higher energies.

引用

页数：7

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