Raman and infrared spectra, conformational stability, ab initio calculations and vibrational assignment of dimethylsilylisocyanate

GA Guirgis, SX Zhou, JR Durig

文献索引：Guirgis, Gamil A.; Zhou, Sarah Xiaohua; Durig, James R. Journal of Raman Spectroscopy, 2010 , vol. 41, # 3 p. 303 - 309

全文：HTML全文

被引用次数: 1

摘要

Abstract The Raman (3200-30 cm− 1) and/or infrared spectra (3500 to 400 cm− 1) of gaseous, liquid and solid dimethylsilylisocyanate,(CH 3) 2 Si (H) NCO, have been recorded. The MP2 (full) calculations, employing a variety of basis sets with and without diffusion functions, have been used to predict the structural parameters, conformational stability, vibrational fundamental wavenumbers, Raman activities, depolarization values and ...