Abstract
The Raman (50 to 3200 cm−1) and infrared (50 to 3500 cm−1) spectra of chlorodimethylmethoxysilane, Cl(CH3)2SiOCH3, in the vapor and solid phases have been recorded. Raman spectra of the liquid including depolarization ratios have also been recorded. Optimized geometries and conformational stabilities have been obtained from ab initio calculations utilizing the RHF/3–21G* and RHF/6–31G* basis sets. The calculations from both of these basis sets indicated the gauche conformer to be significantly more stable than the trans conformer. Since the gauche has twice the multiplicity of the trans form it is unlikely that the trans conformer will be detected in the fluid phases at room temperature. This is supported by the fact that no infrared or Raman bands were found to vanish in the spectra of the crystalline solid. The vibrational frequencies have been calculated using appropriate scaling factors, and the vibrational spectra are interpreted in detail. The results have been compared with those obtained for some related molecules.
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Dedicated to Professor Dr. H. Kriegsmann on the occasion of his 70th birthday
For part XX, see J Raman Spectrosc 26:in press (1995)
Analytical R/D Department, Organic Products Division, Miles Inc., Bushy Park Plant. Charleston, SC 9411, USA
Chemistry Department, Mu'tah University, P.O.Box 7, Mu'tah-Karak, Jordan
Department of Chemistry, Moscow State University, Moscow, B-234, Russia
Department of Ceramic Engineering, Inha University, Nam-Ku, Incheon 160, Korea
Department of Chemistry, University of Oslo, P.O.Box 1033, 0315 Oslo, Norway
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Guirgis, G.A., Qtaitat, M.A., Pentin, Y.A. et al. Spectra and structure of silicon containing compounds. Fresenius J Anal Chem 352, 499–507 (1995). https://doi.org/10.1007/BF00323375
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DOI: https://doi.org/10.1007/BF00323375