物理化学学报 >> 2012, Vol. 28 >> Issue (12): 2767-2773.doi: 10.3866/PKU.WHXB201209052

热力学,动力学和结构化学 上一篇    下一篇

对氯硝基苯吸附在银纳米粒子上的偶联反应

罗文丽, 苏亚琼, 田向东, 赵刘斌, 吴德印, 田中群   

  1. 厦门大学化学化工学院化学系, 固体表面物理化学国家重点实验室, 福建厦门, 361005
  • 收稿日期:2012-07-25 修回日期:2012-09-05 发布日期:2012-11-14
  • 通讯作者: 吴德印 E-mail:dywu@xmu.edu.cn
  • 基金资助:

    国家自然科学基金(20973143, 91027009, 21021002); 国家重点基础研究发展规划项目(973)(2009CB930703)和厦门大学(2010121020)资助

Reaction of p-Chloronitrobenzene Adsorbed on Silver Nanoparticles

LUO Wen-Li, SU Ya-Qiong, TIAN Xiang-Dong, ZHAO Liu-Bin, WU De-Yin, TIAN Zhong-Qun   

  1. State Key Laboratory for Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, Fujian Province, P. R. China
  • Received:2012-07-25 Revised:2012-09-05 Published:2012-11-14
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (20973143, 91027009, 21021002), National Key Basic Research Program of China (973) (2009CB930703), and Xiamen University, China (2010121020).

摘要:

表面增强拉曼光谱(SERS)具有极高的检测灵敏度, 通过检测吸附分子的SERS信号, 可以获得表面吸附分子的结构以及可能发生的反应. 在拉曼激发光源的辐射下, 在碱性溶液中, 银纳米粒子表面吸附的对氯硝基苯(PCNB)的SERS光谱与其固体的常规拉曼光谱相比, 出现异常SERS谱. 通过采用密度泛函理论(DFT)计算, 对PCNB以及可能的偶联产物p,p'-二氯偶氮苯(DCAB)进行理论分析以及谱峰归属, 发现这些异常峰来自其偶联产物DCAB的偶氮C-N=N-C基团的基频振动.

关键词: 表面增强拉曼光谱, 密度泛函理论, 对氯硝基苯, p,p'-二氯偶氮苯, 银纳米粒子

Abstract:

Surface-enhanced Raman spectroscopy (SERS) on silver nanoparticles is highly sensitive because of surface plasmon resonance. We have studied the structures and photoinduced chemical reactions of p-chloronitrobenzene (PCNB) molecules adsorbed on silver nanoparticles using a combination of SERS and density functional theory (DFT) calculations. When the PCNB molecules are adsorbed to the surface of silver nanoparticles in alkaline solution, the SERS spectra are very different from the normal Raman spectra of PCNB. Comparison of the DFT simulated Raman spectra of PCNB and p,p'-dichloroazobenzene (DCAB) indicates that the new peaks in the SERS spectrum of PCNB adsorbed on silver nanoparticles arise from the azo (C-N=N-C) group of DCAB.

Key words: Surface-enhanced Raman spectroscopy, Density functional theory, p-Chloronitrobenzene, p,p'-Dichloroazobenzene, Silver nanoparticle

MSC2000: 

  • O646