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

Summary, in 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.

• 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
• Links: http://dx.doi.org/10.1021/jp5099014
• Document type: Journal article
• Publisher: The American Chemical Society (ACS)
• Status: Published
• ISBN/ISSN/Other: ISSN: 1520-5215