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

Ceponkus, Justinas; Jonusas, M. ; Cotter, C. P.; Pucetaite, Milda LU ; Aleksa, V; Guirgis, G. A. and Sablinskas, Valdas (2015) In Journal of Physical Chemistry A 119(11). p.2721-2726
Abstract
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.
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author
publishing date
type
Contribution to journal
publication status
published
in
Journal of Physical Chemistry A
volume
119
issue
11
pages
2721 - 2726
publisher
The American Chemical Society
external identifiers
  • scopus:84925067777
ISSN
1520-5215
DOI
10.1021/jp5099014
language
English
LU publication?
no
id
ad9f6057-1a99-4751-886b-8d4a27880252
date added to LUP
2019-03-26 10:28:23
date last changed
2019-03-31 05:06:58
@article{ad9f6057-1a99-4751-886b-8d4a27880252,
  abstract     = {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       = {Ceponkus, Justinas and Jonusas, M.  and Cotter, C. P. and Pucetaite, Milda and Aleksa, V and Guirgis, G. A.  and Sablinskas, Valdas},
  issn         = {1520-5215},
  language     = {eng},
  number       = {11},
  pages        = {2721--2726},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry A},
  title        = {Structural Studies of 1,1-Dimethyl-2-oxy-1-silacyclohexane by Means of Matrix Isolation Infrared Absorption Spectroscopy},
  url          = {http://dx.doi.org/10.1021/jp5099014},
  volume       = {119},
  year         = {2015},
}