CH_3CN的ν_2～ν_3+ν_4费米共振研究  

Study the ν_2～ν_3+ν_4 Fermi Resonance of CH_3CN

作　　者：李东飞[1,2] 张可为[1] 华中[3] 孙成林[2] 李海波[1] 

机构地区：[1]吉林师范大学功能材料物理与化学教育部重点实验室,长春130103 [2]吉林大学物理学院,超硬材料国家重点实验室,长春130021 [3]吉林师范大学物理学院,四平136000

出　　处：《光散射学报》2016年第4期330-333,共4页The Journal of Light Scattering

基　　金：中国博士后基金(2013M541286);吉林省科技厅青年基金项目(20140520109JH);吉林省科技厅国际科技合作项目(20150414003GH);吉林省教育厅“十二五”科学技术研究项目(吉教科合字[2015]第211号)

摘　　要：利用拉曼光谱技术测量了CH3CN和CD3CN在常温常压下的拉曼光谱，根据微扰理论建立了新的费米共振理论模型，结合同位素替换方法计算了CH3CN的v2～v3＋v4费米共振耦合系数，并且与利用传统Bertran公式计算结果进行了对比。新的费米共振理论模型利用振动能级的跃迁偶极矩实现了费米共振参数的计算，不仅能够计算未发生费米共振时两费米共振双线的初始光谱强度，而且还能够计算两费米共振双线的初始频率。最后，对利用Bertran公式计算获得的结果产生较大误差的原因进行了分析。Raman spectra of CH3CN and CD;CN were measured at ambient pressure and room temperature. The new Fermi resonance theoretical model, which was built based on the perturbation theory, was used to calculate the parameters of v2 - v3 ＋v4 Fermi resonance of CH3 CN with isotopic substitution method. In addition, we also compared the calculation results with the new theoretical model and the Bertran equations. The new theoretical model can be used not only to calculate the original intensity of the Fermi doublet,but also to calculate the frequencies of the Fermi doublet in absence of the Fermi resonance with the transition dipole moments of the two observed transitions. Besides, we also gave a detailed analysis on the difference between the calculated results based on the Bertran equations and the calculated results in the present work.

关 键 词：费米共振 拉曼光谱 CH3CN 微扰理论 

分 类 号：O433.3[机械工程—光学工程]