Structural Studies of 1,1-Dimethyl-2-oxy-1-silacyclohexane by Means of Matrix Isolation Infrared Absorption Spectroscopy
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/ad9f6057-1a99-4751-886b-8d4a27880252
- author
- Ceponkus, Justinas ; Jonusas, M. ; Cotter, C. P. ; Pucetaite, Milda LU ; Aleksa, V ; Guirgis, G. A. and Sablinskas, Valdas
- publishing date
- 2015
- 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 (ACS)
- 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
- 2022-01-31 18:25:32
@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 (ACS)}}, 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}}, doi = {{10.1021/jp5099014}}, volume = {{119}}, year = {{2015}}, }