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首页> 外文会议>Plasmonics: Metallic nanostructures and their optical properties VIII >Cysteamine Coated Ag and Au nanorods for Improved Surface Enhanced Raman Scattering from dinitrotoluene and trinitrotoluene
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Cysteamine Coated Ag and Au nanorods for Improved Surface Enhanced Raman Scattering from dinitrotoluene and trinitrotoluene

机译：半胱胺涂层的Ag和Au纳米棒可改善二硝基甲苯和三硝基甲苯的表面增强拉曼散射

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Surface-enhanced Raman scattering (SERS) from trinitrotoluene and other nitro-based explosives is important for the development of a reliable detection scheme exhibiting low false-positive rates. However, the interaction of these compounds with Ag and Au causes the molecules to orient in ways such that the primary vibrations of the nitro groups, the main identifying Raman marker of these compounds, are inhibited in addition to causing a reduction in the SERS response. It has recently been shown that cysteamine, which contains amine functional end groups, will electrostatically attract the nitro groups of TNT. Therefore, as the thiol functional group of cysteamine chemically bonds this molecule to the plasmonically-active Au and Ag nanoparticles studied, SERS of TNT can be obtained following the nitro-amine functional group complex formation. It is observed that the cysteamine adsorbs in one of two configurations on the metal surface, with the trans configuration consisting of bonding at the S end of the molecule and the cysteamine is perpendicular to the metal surface, while in the Gauche configuration S bonding occurs, but the molecule bends over towards the metal film surface, approaching the parallel configuration allowing the amine groups interact with the surface. We find that the trans configuration is best for the detection of SERS from TNT. Experiments compare well with DFT calculations of the cysteamine and TNT complex and their adsorption on Ag.
机译：来自三硝基甲苯和其他基于硝基的炸药的表面增强拉曼散射（SERS）对于开发具有低假阳性率的可靠检测方案非常重要。但是，这些化合物与Ag和Au的相互作用会导致分子取向，从而除了抑制SERS反应的降低外，还抑制了硝基的主要振动（这些化合物的主要识别拉曼标志）。最近显示，含有胺官能端基的半胱胺将静电吸引TNT的硝基。因此，由于半胱胺的硫醇官能团使该分子化学键合到所研究的具有等离子体活性的Au和Ag纳米颗粒上，因此可以在硝基胺官能团配合物形成后获得TNT的SERS。可以观察到，半胱胺以两种构型之一吸附在金属表面上，反式构型由分子S端的键合组成，而半胱胺垂直于金属表面，而在Gauche构型中则发生S键合，但该分子向金属膜表面弯曲，接近平行构型，使胺基与表面相互作用。我们发现反式配置最适合从TNT中检测SERS。实验与半胱胺和TNT配合物的DFT计算以及它们在Ag上的吸附进行了比较。

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