Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane
Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane
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DOI：
10.1002/jrs.2549
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发表时间：
2010-10
影响因子：
2.5
通讯作者：
M. Montejo;D. Wann;P. G. R. Ortega;H. Robertson;F. Márquez;D. Rankin;J. J. L. González-J.
中科院分区：
文献类型：
--
作者：
M. Montejo;D. Wann;P. G. R. Ortega;H. Robertson;F. Márquez;D. Rankin;J. J. L. González-J.
采用气相电子衍射和计算技术相结合的方法，对二乙基二氯硅烷的构象进行了研究，并阐明了其四种构象异构体的气相分子结构。此外，基于尺度量子力学力场方法，记录并彻底分析了液体的拉曼光谱以及气相和液相的红外光谱。振动分配的结果给出了样品中存在不同构象异构体的光谱证据。版权所有 © 2009 John Wiley & Sons, Ltd.
A conformational study of diethyldichlorosilane and the elucidation of the gas-phase molecular structures of its four conformers have been performed using the combined approach of gas-phase electron diffraction and computational techniques. Moreover, the Raman spectrum of the liquid and the IR spectra of the gas and liquid phases have been recorded and thoroughly analyzed on the basis of the scaled quantum-mechanical force field methodology. The results of the vibrational assignment have given spectroscopic evidence of the presence of the different conformers in the samples. Copyright c � 2009 John Wiley & Sons, Ltd.