CS_2^+离子~2∑_g^+←~2∑_u^+跃迁的Franck-Condon因子计算以及与光解离谱的比较  

Calculation of the Franck-Condon Factors for the ~2∑_g^+←~2∑_u^+ Transitions of CS_2^+ Ions and Comparison with Related Photodissociation Spectra

作　　者：马玉超[1] 张立敏[1] 庄秀娟[1] 王金婷[1] 杨茂萍[1] 俞书勤[1] 

机构地区：[1]中国科学技术大学化学物理系,合肥230026

出　　处：《物理化学学报》2006年第12期1532-1536,共5页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(20373067)资助项目

摘　　要：将线性三原子分子离子CS2+的对称伸缩振动简化为SC和S之间的简谐振动,用谐振子的势能曲线和波函数对CS2+分子离子2∑g+和2∑u+电子态(对称伸缩)振动能级间跃迁的Franck-Condon因子进行了计算,得到的结果与2∑g+←2∑u+跃迁的光解离谱实验强度进行了比较,对前人给出的分子数据(转动常数、分子平衡核间距)进行了验证和分析,讨论了经由2∑g+←2∑u+电子态振动能级间跃迁的光解离机理.On the basis of the approximation of harmonic oscillation between SC and S for the symmetric stretching vibration of the CS2^＋ ions, the Franck-Condon factors for the ^C2∑8^＋←^B^2∑u^＋transitions of CS2^＋ ions have been calculated using the potential curves and wavefunctions of the harmonic oscillator. The calculation results have been used for comparison with the photodissociation spectra via the ^C2∑8^＋←^B^2∑u^＋ transition, and to estimate the validity of the rotation constants and the bond length of ^C2∑8^＋ state given in the previous studies. The photodissociation mechanism via the ^C2∑8^＋←^B^2∑u^＋transitions of CS2^＋ ions has also been discussed.

关 键 词：CS2^+离子 FRANCK-CONDON因子 光解离谱 

分 类 号：O641.1[理学—物理化学]