| CS2+离子 C2Σg+←B2Σu+跃迁的Franck-Condon因子计算以及与光解离谱的比较 |
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| 引用本文： | 马玉超,张立敏,庄秀娟,王金婷,杨茂萍,俞书勤.CS2+离子 C2Σg+←B2Σu+跃迁的Franck-Condon因子计算以及与光解离谱的比较[J].物理化学学报,2006,22(12):1532-1536. |
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| 作者姓名： | 马玉超 张立敏 庄秀娟 王金婷 杨茂萍 俞书勤 |
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| 作者单位： | (Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, P. R. China) |
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| 基金项目： | 国家自然科学基金（20373067）资助项目. |
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| 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 C2Σg+和 B2Σu+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 C2Σg+←B2Σu+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 C2Σg+←B2Σu+电子态振动能级间跃迁的光解离机理.
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| 关 键 词： | CS2+离子 Franck-Condon因子 光解离谱 |
| 收稿时间： | 2006-06-12 |
| 修稿时间： | 2006-08-20 |
Calculation of the Franck-Condon Factors for the C2Σg+←B2Σu+ Transitions of CS2+ Ions and Comparison with Related Photodissociation Spectra |
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| MA, Yu-Chao ZHANG, Li-Min ZHUANG, Xiu-Juan WANG, Jin-Ting YANG, Mao-Ping YU, Shu-Qin.Calculation of the Franck-Condon Factors for the C2Σg+←B2Σu+ Transitions of CS2+ Ions and Comparison with Related Photodissociation Spectra[J].Acta Physico-Chimica Sinica,2006,22(12):1532-1536. |
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| Authors: | MA Yu-Chao ZHANG Li-Min ZHUANG Xiu-Juan WANG Jin-Ting YANG Mao-Ping YU Shu-Qin |
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| Institution: | (Department of Chemical Physics, University of Science and Technology of China, Hefei 230026, P. R. China) |
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| Abstract: | 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 C2Σg+←B2Σu+ 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 C2Σg+←B2Σu+ transition, and to estimate the validity of the rotation constants and the bond length of C2Σg+ state given in the previous studies. The photodissociation mechanism via the C2Σg+←B2Σu+transitions of CS2+ ions has also been discussed. |
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| Keywords: | CS2+ ions Franck-Condon factors Photodissociation spectra |
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