Chemical Enhancement on Surface-Enhanced Resonance Raman Scattering of Au3-1,4-BenzenedithioI-Au3 Junction  

1，4-苯二硫醇分子的表面增强共振拉曼散射的化学增强

作　　者：赵秀明[1] 田小锐[2] 刘莎莎[3] 李源作[1,2] 陈茂笃[1] 

机构地区：[1]大连理工大学物理与光电工程学院,高科技研究院,大连116024 [2]中国科学院北京物理所凝聚态物理国家实验室,北京100190 [3]东北大学化学系,沈阳110004

出　　处：《Chinese Journal of Chemical Physics》2011年第6期665-671,I0003,共8页化学物理学报（英文）

基　　金：This work was supported by the National Natural Science Foundation of China （No.10604012, No.10974023, No.10874234, No.20703064, No.90923003）, the National Basic Research Project of China （No.2009CB930Y01）, and the Fundamental Research Funds for the Central Universities （No.DUT10LK03）.

摘　　要：Surface-enhanced Raman scattering （SERS） and surface-enhanced resonance Raman scattering （SERRS） spectra of the 1,4-benzenedithiol molecule in the junction of two Au3 clusters have been calculated using density functional theory （DFT） and time-dependent DFT method. In order to investigate the contribution of charge transfer （CT） enhancement, the wavelengths of incident light are chosen to be at resonance with four representative excited states, which correspond to CT in four different forms. Compared with SERS spectrum, SERRS spectra are enhanced enormously with distinct enhancement factors, which can be attributed to CT resonance in different forms.

关 键 词：Surface-enhanced Raman scattering 1 4-Benzenedithiol molecule Surfaceenhanced resonance Raman scattering Charge transfer 

分 类 号：O[理学]