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CS2+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 CS2+ Ions and Comparison with Related Photodissociation Spectra
【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.
【Abstract】 On the basis of the approximation of harmonic oscillation between SC and S for the symmetric stretching vibration of the CS+2 ions,the Franck-Condon factors for the 2X+g 2X+u transitions of CS+2 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 2X+g 2X+u transition,and to estimate the validity of the rotation constants and the bond length of 2X+g state given in the previous studies.The photodissociation mechanism via the 2X+g 2X+u transitions of CS+2 ions has also been discussed.
【Key words】 CS+2 ions; Franck-Condon factors; Photodissociation spectra;
- 【文献出处】 物理化学学报 ,Acta Physico-Chimica Sinica , 编辑部邮箱 ,2006年12期
- 【分类号】O641.1
- 【被引频次】2
- 【下载频次】68