如何求同核双原子分子的平衡核间距——以H_(2)分子为例  

How to Determine the Equilibrium Bond Distance of Homonuclear Diatomic Molecules:A Case Study of H_(2)

作　　者：舒勇 陈星[2] 段赛 廖荣臻 Yong Shu;Xing Chen;Sai Duan;Rongzhen Liao(College of Chemistry and Chemical Engineering,Huazhong University of Science and Technology,Wuhan 430074,China;Institute of Molecular Plus,Tianjin University,Tianjin 300072,China;Department of Chemistry,Fudan University,Shanghai 200438,China)

机构地区：[1]华中科技大学化学与化工学院,武汉430074 [2]天津大学分子+研究院,天津300072 [3]复旦大学化学系,上海200438

出　　处：《大学化学》2024年第7期386-393,共8页University Chemistry

基　　金：基础学科拔尖学生培养计划2.0研究课题一般课题(20222134);国家自然科学面上项目(22273028)。

摘　　要：平衡核间距在研究双原子分子性质中有着非常重要的地位,通过光谱实验和量子化学计算都可以得到其平衡核间距。H_(2)是最简单的双原子分子,本文将以它为例介绍求同核双原子分子平衡核间距的光谱实验方法,包括拉曼光谱、电场诱导偶极矩跃迁光谱和四极矩跃迁光谱,并介绍其薛定谔方程的求解历史,尤其是平衡核间距和键解离能。The equilibrium nuclear distance is of paramount importance in the study of diatomic molecule properties.It can be obtained through spectroscopic experiments and quantum chemical calculations.The hydrogen molecule(H_(2))serves as the simplest diatomic molecule,making it an ideal example to illustrate the determination of equilibrium bond distance in homonuclear diatomic molecules.This paper introduces various spectroscopic experimental methods for measuring the equilibrium bond distance,including Raman spectroscopy,electric-field induced dipole spectroscopy,and quadrupole transition spectroscopy.Furthermore,the historical development of solving the Schrödinger equation for the hydrogen molecule,with specific emphasis on the equilibrium bond distance and bond dissociation energy,is discussed.

关 键 词：平衡核间距 键解离能 光谱方法 量子化学计算 

分 类 号：G64[文化科学—高等教育学] O6[文化科学—教育学]