哒嗪分子表面增强拉曼效应下键极化率的研究:吸附构型与增强机理

房超; 吴国祯

doi:10.7498/aps.60.033301

摘要

本文用拉曼峰强求得时间分辨键极化率的方法,分析了哒嗪分子在银电极上的表面增强拉曼谱图.哒嗪分子在不同电位下的键极化率和其弛豫特征时间,显示该分子的吸附点为两个氮原子,以及该分子体系的电荷转移机制机理,包括共轭的效应.对于具有良好拉曼谱图的体系,这个方法具有普适性.

关键词:

The temporal molecular bond polarizabilities of pyridazine molecule absorbed on Ag electrode were explored from its surface enhanced Raman intensities, showing that the two nitrogen atoms are the absorption sites and the enhancement is dominated by the charge transfer mechanism. The behaviors of the charges on the skeletal bonds were demonstrated under various applied voltages, which shows the conjugation effect. This algorithm is universal for the surface systems as long as their Raman spectra are available.

Keywords:

作者及机构信息

房超¹,
吴国祯²

(1)清华大学核能与新能源技术研究院,北京 100084; (2)原子分子纳米教育部重点实验室,清华大学物理系,北京 100084

基金项目: 教育部重点实验室基金(批准号:306020),高等学校博士学科点专项科研基金(批准号:20060003050),国家自然科学基金(批准号:20773073)资助的课题.

Authors and contacts

Fang Chao¹,
Wu Guo-Zhen²

(1)Institute of Nuclear and New Energy Technology,Tsinghua University,Beijing 100084,China; (2)Molecular and Nano Sciences Laboratory,Department of Physics,Tsinghua University,Beijing 100084,China

参考文献

[1]	Nie S, Emory S R 1997 Science 275 1102
[2]	Kneipp K, Kneipp H, Itzkan I 1999 Current Science 77 915
[3]	Moskovits M 1985 Rev. Mod. Phys. 57 783
[4]	Otto A 1984 Surface-enhanced Raman Scattering:"Classical" and "Chemical Origin", in Light Scattering in Solid IV (New York, edited by M. Cardona, G. Guntherodt)
[5]	Wu G Z 2007 Raman Spectroscopy:An intensity Approach (in Chinese) [吴国祯 2007 拉曼谱学——峰强中的信息(北京:科学出版社)]
[6]	Liu Z J, Wu G Z 2006 Acta Phys. Sin. 55 6315 (in Chinese) [刘照军、吴国祯 2006 物理学报 55 6315]
[7]	Fang C, Liu Z J, Wu G Z 2008 J. Mol. Struct. 885 186
[8]	Wilson E B, Decius J C, Cross P C 1955 Molecular Vibrations(New York:McGraw-Hill)
[9]	David C Y 2001 Computational Chemistry:A Practical Guide for Applying Techniques to Real-World Problems (New York:John Wiley & Sons)
[10]	Fang C, Wu G Z 2009 Acta Phys. Sin. 58 2345 (in Chinese) [房超、吴国祯 2009 物理学报 58 2345]
[11]	Takahashi M, Niwa M, Ito M 1987 J. Phys. Chem. 91 11
[12]	Lord C R, Marston L A, Miller A F 1957 Spectrochim. Acta 9 113
[13]	Wu G Z 1990 J. Mol. Struct. 238 79
[14]	Fang C, Wu G Z 2007 J. Light. Scattering 4 1 (in Chinese) [房超、吴国祯 2007 光散射学报 4 1]
[15]	Yang Y, Liu Y L, Zhu K, Zhang L Y, Ma S Y, Liu J, Jiang Y J 2010 Chin. Phys. B 19 037802

施引文献

[1]	Nie S, Emory S R 1997 Science 275 1102
[2]	Kneipp K, Kneipp H, Itzkan I 1999 Current Science 77 915
[3]	Moskovits M 1985 Rev. Mod. Phys. 57 783
[4]	Otto A 1984 Surface-enhanced Raman Scattering:"Classical" and "Chemical Origin", in Light Scattering in Solid IV (New York, edited by M. Cardona, G. Guntherodt)
[5]	Wu G Z 2007 Raman Spectroscopy:An intensity Approach (in Chinese) [吴国祯 2007 拉曼谱学——峰强中的信息(北京:科学出版社)]
[6]	Liu Z J, Wu G Z 2006 Acta Phys. Sin. 55 6315 (in Chinese) [刘照军、吴国祯 2006 物理学报 55 6315]
[7]	Fang C, Liu Z J, Wu G Z 2008 J. Mol. Struct. 885 186
[8]	Wilson E B, Decius J C, Cross P C 1955 Molecular Vibrations(New York:McGraw-Hill)
[9]	David C Y 2001 Computational Chemistry:A Practical Guide for Applying Techniques to Real-World Problems (New York:John Wiley & Sons)
[10]	Fang C, Wu G Z 2009 Acta Phys. Sin. 58 2345 (in Chinese) [房超、吴国祯 2009 物理学报 58 2345]
[11]	Takahashi M, Niwa M, Ito M 1987 J. Phys. Chem. 91 11
[12]	Lord C R, Marston L A, Miller A F 1957 Spectrochim. Acta 9 113
[13]	Wu G Z 1990 J. Mol. Struct. 238 79
[14]	Fang C, Wu G Z 2007 J. Light. Scattering 4 1 (in Chinese) [房超、吴国祯 2007 光散射学报 4 1]
[15]	Yang Y, Liu Y L, Zhu K, Zhang L Y, Ma S Y, Liu J, Jiang Y J 2010 Chin. Phys. B 19 037802

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