Release Time:2019-03-10  Hits:

Indexed by: Journal Article

Date of Publication: 2008-03-15

Journal: 光散射学报

Included Journals: CSCD、PKU

Volume: 20

Issue: 1

Page Number: 7-12

ISSN: 1004-5929

Key Words: 胞嘧啶;拉曼光谱;密度泛函

Abstract: 本文通过实验测量了胞嘧啶的常规拉曼光谱,有四个弱拉曼峰在以前胞嘧啶的常规拉曼光谱中未检测到.采用密度泛函(Density Function Theory)B3LYP/6-31+G(d,p)计算了胞嘧啶分子的拉曼光谱.结合理论计算结果对实验拉曼光谱振动模式进行了指认,并对其中几个拉曼峰非常弱的原因进行了分析.