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Structural Studies of 1,1-Dimethyl-2-oxy-1-silacyclohexane by Means of Matrix Isolation Infrared Absorption Spectroscopy

Author:
  • Justinas Ceponkus
  • M. Jonusas
  • C. P. Cotter
  • Milda Pucetaite
  • V Aleksa
  • G. A. Guirgis
  • Valdas Sablinskas
Publishing year: 2015
Language: English
Pages: 2721-2726
Publication/Series: Journal of Physical Chemistry A
Volume: 119
Issue: 11
Document type: Journal article
Publisher: The American Chemical Society (ACS)

Abstract english

Infrared spectra of gaseous, liquid, and matrix-isolated samples of newly synthesized 1,1-dimethyl-2-oxy-1-silacyclohexane were recorded. Raman spectra of 1,1-dimethyl-2-oxy-1-silacyclohexane in liquid and solid states were obtained in the temperature range from 170 to 340 K. Ab initio HF and DFT B3LYP calculations were performed in order to determine the possible conformations of 1,1-dimethyl-2-oxy-1-silacyclohexane and to make accurate assignment of the vibrational spectral bands. The study confirms the existence of only one chair-type conformer of 1,1-dimethyl-2-oxy-1-silacyclohexane.

Other

Published
  • ISSN: 1520-5215
Milda Pucetaite. Photo.
E-mail: milda [dot] pucetaite [at] cec [dot] lu [dot] se

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