烟酸分子的简正振动与拉曼光谱  

Normal Vibration and Raman Spectrum of Nicotinic Acid

作　　者：韩礼刚[1] 

机构地区：[1]洛阳师范学院物理与电子信息学院,河南洛阳471022

出　　处：《洛阳师范学院学报》2009年第2期44-46,共3页Journal of Luoyang Normal University

摘　　要：利用量子化学软件计算得出了烟酸分子的平衡构形,基于这个构形,理论上计算出了烟酸分子的简正振动光谱,并与实验测得的结果进行了比较,最后对其简正振动模式进行了全面归属.In this paper, the equilibrium geometry of nicotinic acid was achieved through quantum chemical method. The normal frequencies are elucidated based on this geometry, the calculated frequencies and the observed frequencies are compared, and finally the assignments of all the frequencies are made.

关 键 词：烟酸 平衡构型 简正振动 拉曼光谱 振动归属 

分 类 号：O657.37[理学—分析化学]