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QUANTUM CHEMICAL STUDY OF RAMAN SPECTROSCOPY OF SUBSTITUTED BENZENE DERIVATIVES ADSORBED ON METAL SURFACES

机译:金属表面吸附的取代苯衍生物拉曼光谱法的量子化学研究

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Surface-enhanced Raman spectroscopy (SERS) can be applied to obtain the information of molecules at the noble metal surfaces. But there are a number of difficulties to clearly correlate Raman spectra with microscopic molecular structures on metal surfaces. The main reason is that it is difficult to characterize unambiguously the metal surface structures and the influence of the binding interaction on SERS signals of the probe molecules. According to the surface selection rule of SERS, the electromagnetic enhancement will not change relative Raman intensities of vibrational modes with the same irreducible representation. Therefore, the change of the relative Raman intensities of the total symmetric modes may only originate from the chemical enhancement.
机译:表面增强的拉曼光谱(SERS)可以应用于获得贵金属表面处的分子信息。但是,在金属表面上用微观分子结构明显地相关的拉曼光谱存在许多困难。主要原因是难以表征明确的金属表面结构和对探针分子SERS信号的影响。根据SERS的表面选择规则,电磁增强不会改变具有相同不可缩短的表示的振动模式的相对拉曼强度。因此,总对称模式的相对拉曼强度的变化可能仅源自化学增强。

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