胞嘧啶分子拉曼光谱研究

王贺陶; 陈茂笃; 赵万利; 潘石; 刘琨; 吴世法

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

论文大纲

王贺陶 ^*陈茂笃赵万利潘石刘琨吴世法

作者单位

大连理工大学物理与光电工程学院近场光学与纳米技术研究所, 大连 116024

胞嘧啶拉曼光谱密度泛函 Cytosine Raman spectroscopy DFT

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.

参考文献

[1] 常建华, 董绮功. 波谱原理及解析［M］ . 北京: 科学出版社, 2001. 113-118.

[2] 伍林, 欧阳兆辉, 曹淑超, 等. 拉曼光谱技术的应用及研究进展［Ｊ］. 光散射学报, 2005, 117(12):180-186.

[3] 里佐威. 近代Raman光谱技术［J］. 物理实验, 22(1): 3-7.

[4] Brant E, Billinghurst. Excited-State structural dynamics of cytosine from resonance Raman spectroscopy［Ｊ］. J. Phys. Chem. A, 2006, 110: 2353-2359．

[5] Oleg V. Shishkin, Leonid Gorb, Jerzy Leszczynski. Does the hydrated cytosine molecule retain the canonical structure a DFT study［Ｊ］. J. Phys. Chem. B, 2000, 104: 5357-5361.

[6] T G Burova, Ten, Kucherova. Quantum-mechanical calculation of the intensity distribution in resonance raman spectra of cytosine［Ｊ］. Optics and Spectroscopy, 2004, 97(1): 30-33.

[7] Morari, Muntean. Numerical simulations of raman spectra of guanine-cytosine watson-crick and protonated hoogsteen base pairs［Ｊ］. Biopolymers (Biospectroscopy), 2003, 72: 339-344 .

[8] 吴元菲, 李剑锋, 田中群, 等. 胞嘧啶吸附在粗糙银和金电极上的表面增强拉曼光谱［Ｊ］. 光散射学报, 118(14): 297.

[9] Bernd Giese. Surface-enhanced raman spectroscopic and density functional theory study of adenine adsorption to silver surfaces［Ｊ］. J. Phys. Chem. B, 2002,106: 1461.

[10] 李现常. 胞嘧啶和胞嘧啶核苷分子吸附在金-银-铜电极上的表面增强拉曼散射光谱［D］. 开封: 河南大学, 2006.

[11] Pavel, Szeghalmi, Moigno. Theoretical and pH dependent surface enhanced raman spectroscopy study on caffeine［Ｊ］. Biospectroscopy. 72, 1:25-37.

[12] 程光煦. 拉曼布利渊散射原理及应用［Ｍ］. 北京: 科学出版社, 2001.

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.

胞嘧啶分子拉曼光谱研究

关于本站 Cookie 的使用提示

全站搜索

胞嘧啶分子拉曼光谱研究

相关论文

相关资讯

关于本站 Cookie 的使用提示

全站搜索