Adsorption behavior of 6-Mercaptonicotinic acid on self-assembled gold nano-substrates explored by SERS combined with theoretical calculations.
Adsorption behavior of 6-Mercaptonicotinic acid on self-assembled gold nano-substrates explored by SERS combined with theoretical calculations.
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DOI：
10.1016/j.jcis.2013.07.022
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发表时间：
2013-10
影响因子：
9.9
通讯作者：
Wen-peng Yang;Yongjun Hu;Min Xie
中科院分区：
文献类型：
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作者：
Wen-peng Yang;Yongjun Hu;Min Xie
作为典型的拉曼报告分子，6-巯基烟酸（C6 H5 NO 2S，MNA）具有三个原子（即，N，O和S），这可能是潜在的化学相互作用与金纳米表面。本论文通过表面增强拉曼散射和理论计算研究了MNA在自组装金纳米基底上的吸附行为。结果表明，所有的增强带被分配到面内振动。Sers谱中1108 cm− 1处的环三角呼吸耦合与C单键S伸缩带的耦合增强，红移到1088 cm− 1。此外，与N原子有关的大部分谱带在Sers谱中明显增强和移动。基于表面选择规则，推测MNA是通过S和N原子垂直化学吸附在自组装金基底上的。用密度泛函理论（DFT）计算进一步解释了光谱结果.
As a typical Raman reporter molecule, 6-Mercaptonicotinic acid (C6H5NO2S, MNA) has three atoms (i.e., N, O, and S), which could be potential to chemically interact with gold nano-surface. In the present report, the adsorption behavior of MNA on self-assembled gold nano-substrates is explored by means of surface-enhanced Raman scattering and theoretical calculations. The results reveal that all the enhanced bands are assigned to in-plane vibrations. The ring triangle breathing coupling with Csingle bondS stretching band at 1108 cm−1is enhanced a lot and redshifts to 1088 cm−1in the SERS spectra. Furthermore, most of the bands related to N atom are apparently enhanced and shift in the SERS spectra. Based on the surface selection rule, it infers that MNA is vertically chemisorbed on self-assembled gold substrates through the S and the N atoms. The spectroscopic results are further interpreted by the density functional theory (DFT) calculations.