Ar－HCl分子的振动光谱  

THE VIBRATIONAL SPECTRUM OF THE Van der Waals MOLECULE Ar-HCl

作　　者：谢军楷[1] 

机构地区：[1]四川师范大学化学系

出　　处：《四川师范大学学报（自然科学版）》1996年第6期71-74,共4页Journal of Sichuan Normal University（Natural Science）

摘　　要：本文报道了ＶａｎｄｅｒＷａａｌｓ分子Ａｒ－ＨＣｌ及其同位素分子Ａｒ－Ｈ３７Ｃｌ，Ａｒ－ＤＣｌ和Ａｒ－Ｄ３７Ｃｌ的振动激发态的能级和波函数的计算结果．通过计算谱带频率与观测数据的比较确定Ａｒ－ＨＣｌ的势能面．这一势能函数可对ＶａｎｄｅｒＷａａｌｓ分子Ａｒ－ＨＣｌ的分子间振动频率的同位素效应给出合理的解释．In this paper, we report the calculated results of the Van der Waals vibrational energy levels for Ar-HCl and its isotopic molecules Ar-H37Cl, Ar-DCl and Ar-D37Cl. The potential energy surface of the Van derWaals complex Ar-HCl has been determined by fitting the observed Van der Waals vibrational levels. By means ofthe discrete variable representation DVR method and DVR3D precedure of Tennyson, the potential energy surfacegives good agreement with experimental data for the vibrational frequency shifts for the isotopic molecules Ar-H37Cl, Ar-DCl and Ar-D37Cl relative to main isotope species Ar-HCl system.

关 键 词：分子 相互作用 氩 氯化氢 振动光谱 势能函数 

分 类 号：O641.3[理学—物理化学]