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首页> 外文期刊>The Journal of Chemical Physics >Molecular dynamics of thiophene homologues investigated by femtosecond optical Kerr effect and low frequency Raman scattering spectroscopies
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Molecular dynamics of thiophene homologues investigated by femtosecond optical Kerr effect and low frequency Raman scattering spectroscopies

机译：飞秒光学克尔效应和低频拉曼散射光谱研究噻吩同系物的分子动力学

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摘要

We present the results of femtosecond optical heterodyn detected optical Kerr effect (OHD-OKE) spectroscopy and low frequency Raman scattering spectroscopy for three thiophene homologues (C4H4X, X = O, S, and Se). The observed OHD-OKE transients were analyzed both in time and frequency domains. Fourier transformed OHD-OKE data were directly compared with the corresponding spontaneous Raman scattering spectra. The reorientation lifetimes for furan (O), thiophene (S) and selenophene (Se) were determined to be 0.9, 2.0 and 3.2 ps, respectively, and were fairly explained in terms of the Stokes-Einstein-Debye relation. Their subpicosecond dynamics was analyzed with an antisymmetric Gaussian function and a skewed function developed by Bucaro and Litoviz, which gave good curve fits to observed data. Librational and translational dynamics of the molecules was discussed in terms of microscopic environments formed by neighboring molecules and the results of intermolecular interaction energy calculations by an nb initio molecular orbital method. (C) 1998 American Institute of Physics. [S0021-9606(98)50348-0]. [References: 58]
机译：我们介绍了飞秒光学外差检测光学克尔效应（OHD-OKE）光谱和低频拉曼散射光谱的三种噻吩同系物（C4H4X，X = O，S和Se）的结果。在时域和频域均对观察到的OHD-OKE瞬态进行了分析。将傅里叶变换的OHD-OKE数据直接与相应的自发拉曼散射光谱进行比较。呋喃（O），噻吩（S）和硒烯（Se）的重新定向寿命分别确定为0.9、2.0和3.2 ps，并根据Stokes-Einstein-Debye关系进行了合理解释。利用反对称高斯函数和Bucaro和Litoviz开发的偏函数对亚皮秒动力学进行了分析，这些函数对观察到的数据具有良好的曲线拟合性。根据相邻分子形成的微观环境以及通过nb初始分子轨道方法计算的分子间相互作用能的结果，讨论了分子的平移和平移动力学。 （C）1998美国物理研究所。 [S0021-9606（98）50348-0]。 [参考：58]

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