表面总和频率产生（SFG）中的振动光谱和分子取向以及实验构型分析<sup>†</sup>,The Journal of Physical Chemistry C

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表面总和频率产生（SFG）中的振动光谱和分子取向以及实验构型分析^†
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : March 23, 2007 , DOI: 10.1021/jp067062h
Wei Gan ₁ , Bao-hua Wu ₁ , Zhen Zhang ₁ , Yuan Guo ₁ , Hong-fei Wang ₁

Affiliation

和频发生振动光谱学（SFG-VS）的最新发展表明，SFG-VS不仅是分子界面的光谱探针，而且还是研究分子光谱的重要工具。已经证明，通过极化和对称性分析，几组极化选择规则可以明确地帮助振动光谱分配。之所以可行，是因为SFG过程从分子界面或薄膜上具有连贯性和强烈的方向依赖性。在这项工作中，我们将进一步讨论SFG-VS极化分析中对实验配置的依赖性。这样的实验和分析可以进一步提高SFG-VS作为识别光谱细节和重叠光谱特征的工具的能力，以及获得详细的分子取向信息的能力。SFG光谱的实验配置相关性在ppp偏振组合中最显着，而在sps和ssp偏振组合中则不显着，这是由于ppp是四种不同的磁化率张量元素组合的结果，而ssp和sps是单个张量元素。在SFG-VS研究中，过去避免了这种ppp频谱的复杂性，这在这项工作中已证明是非常有用的。在不同的实验配置中研究了来自蒸气/甲醇，蒸气/乙醇和蒸气/乙二醇界面的SFG-VS的光谱细节。对这些液体界面观察到的强烈的实验构型依赖性也表明它们具有井井有条的界面结构。本报告中的概念和结论可能会在研究更复杂的分子界面和薄膜方面找到未来的应用。

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Vibrational Spectra and Molecular Orientation with Experimental Configuration Analysis in Surface Sum Frequency Generation (SFG)†

Recent developments in sum frequency generation-vibrational spectroscopy (SFG-VS) have shown that SFG-VS is not only a spectroscopic probe of the molecular interfaces but also an important tool for studying molecular spectroscopy in general. It has been demonstrated that through polarization and symmetry analysis a few sets of polarization selection rules can explicitly help the vibrational spectral assignment. This worked because of the coherent nature and the strong orientational dependence of the SFG process from the molecular interfaces or films. In this work, we further discuss the dependence on the experimental configurations in the SFG-VS polarization analysis. Such experiment and analysis can further increase the ability of the SFG-VS as the tool for discerning spectral details and overlapping spectral features, as well as the ability to obtain detailed molecular orientational information. The experimental configuration dependence of the SFG spectra is most significant in the ppp polarization combination, less significant in the sps and ssp polarization combinations, due to the fact that ppp is the result of the combination of four different susceptibility tensor elements, while both ssp and sps are of a single tensor element. Such complexity of the ppp spectrum, which is very useful as demonstrated in this work, used to be avoided in the SFG-VS studies. The spectral details of the SFG-VS from the vapor/methanol, vapor/ethanol, and vapor/ethylene glycol interfaces are studied in different experimental configurations. The strong experimental configuration dependence observed for these liquid interfaces also indicated that they possess well-ordered interfacial structures. The concepts and conclusions in this report may find future applications in studying more complex molecular interfaces and films.

更新日期：2017-01-31

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