苯丙氨酸分子结构及其振动性质  

Structure and vibration properties of phenylalanine

作　　者：郭云[1] 张正中[1] 曾祥华[1] 王志萍[2] 张萱[1] 

机构地区：[1]扬州大学物理科学与技术学院,江苏扬州225002 [2]北京师范大学低能核物理研究所,北京100875

出　　处：《扬州大学学报（自然科学版）》2008年第2期28-33,共6页Journal of Yangzhou University：Natural Science Edition

基　　金：江苏省“十一五”科技攻关项目(BG2007026)

摘　　要：运用Gaussian03程序,通过分子模型模拟方法给出孤立的和水溶液中的苯丙氨酸分子的结构,并计算其振动谱,分析其63种振动模式,同时比较了孤立的和水溶液中的苯丙氨酸分子的振动模式、频率差异.计算结果能够很好地再现实验测量谱,对目前实验还未能给出的振动模式和频率做了补充.With the help of Gaussian 03, structures of phenylalanine and phenylalanine in water solution have been constructed and their corresponding 63 kinds of vibration modes have been analyzed. And the differences between the phenylalanine and phenylalanine in water solution＇s vibration types and frequencies are also analyzed. It is found the numerical result is consistent with the experiment data very well. And even more it can give the supplement data which have not been shown in the experiment.

关 键 词：苯丙氨酸 结构 振动模式 

分 类 号：O561.1[理学—原子与分子物理]