光散射学报, 2008, 20 (1): 7, 网络出版: 2014-01-21
胞嘧啶分子拉曼光谱研究
A Study of Raman Spectroscopy on Cytosine
摘要
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。
Abstract
Raman spectroscopy cytosine is presented in this study. We present four weak spectrums that have not be seen in the previously published reports. The Raman spectrum of cytosine is calculated by density function theory (DFT) at the B3LYP and 6-31+G(d,p) basis sets. The theoretical results of the DFT model are good agreement with those of the experimental results obtained through Raman analysis. The vibrational modes obtained through experiment have then been assigned to the structure of cytosine by comparison with the DFT Model.
王贺陶, 陈茂笃, 赵万利, 潘石, 刘琨, 吴世法. 胞嘧啶分子拉曼光谱研究[J]. 光散射学报, 2008, 20(1): 7. WANG He-tao, CHEN Mao-du, ZHAO Wan-li, PAN Shi, LIU Kun, WU Shi-fa. A Study of Raman Spectroscopy on Cytosine[J]. The Journal of Light Scattering, 2008, 20(1): 7.