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Conformational landscape of small organosilicon compounds from the combined use of gas electron diffraction, IR and Raman spectroscopies and quantum chemical calculations: diethyldichlorosilane
Author(s) -
Montejo Manuel,
Wann Derek A.,
Rodríguez Ortega Pilar G.,
Robertson Heather E.,
Márquez Fernando,
Rankin David W. H.,
López González Juan Jesús
Publication year - 2010
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.2549
Subject(s) - organosilicon , raman spectroscopy , conformational isomerism , chemistry , electron diffraction , gas phase , quantum chemical , diffraction , gas electron diffraction , infrared , force field (fiction) , chemical physics , computational chemistry , molecule , organic chemistry , optics , physics , reflection high energy electron diffraction , quantum mechanics
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 © 2009 John Wiley & Sons, Ltd.