乙腈分子振动模式和振动光谱的群论方法研究  

The Vibration Mode and Vibration Spectrum Study of Aceto Nitrile Molecule by the Use of Group Theory

作　　者：李宽国[1] 刘广菊[1] 章姗姗[1] 崔执凤[1] 方立铭[2] 

机构地区：[1]安徽师范大学物理与电子信息学院,安徽芜湖241000 [2]皖南医学院,安徽芜湖241000

出　　处：《安徽师范大学学报（自然科学版）》2009年第2期128-130,共3页Journal of Anhui Normal University(Natural Science)

基　　金：安徽省原子与分子物理重点学科建设基金资助(2002ZDXK)

摘　　要：利用群论的方法可以在不解久期方程的情况下分析分子的振动光谱,本文运用群论方法分析了乙腈分子的简振振动模式,得到了各简振振动模式的对称性,根据振动拉曼光谱选择定则分析了乙腈分子各振动模式的拉曼活性,结果表明乙腈分子振动拉曼光谱有8条频率不同的拉曼谱线,并与实验测定的激光振动拉曼光谱进行比较,理论结果与实验结论吻合很好.The vibration spectrum of molecule can be analyzed by the use of group theory without uniting secular equation. In this paper the vibration modes of acetonitrile molecule have been studied by using group theory and the symmetrical characteristic of every vibration mode has been obtained. The Raman activity of acetonitrile molecule vibration modes has been analyzed based on the vibrational selection rules of Raman spectrum and the result indicates that the vibration spectrum of acetonitrile molecule contains eight different frequency Raman lines. In comparison with the laser Raman vibration spectrum determined by experiment, the result is in good agreement with that from experiment.

关 键 词：乙腈分子 振动模式 激光拉曼光谱 选择定则 

分 类 号：O561.3[理学—原子与分子物理]