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Raman and infrared spectroscopic studies of structure and stability of 1,1,2,2-tetrachloro-1,3-disilacyclopentane

Ceponkus, Justinas; Sablinskas, Valdas; Aleksa, V; Pucetaite, Milda LU ; Platakyte, R.; Reed, C. W.; Cotter, C. P. and Guirgis, G. A. (2015) In Vibrational Spectroscopy 81. p.136-143
Abstract
Raman spectra of liquid, and infrared spectra of gaseous as well as matrix isolated 1,1,2,2-tetrachloro-1,3-disilacyclopentane were recorded and analyzed with the aid of DFT calculations. Complete assignment of the experimental vibrational spectral bands is made. Experimental results and DFT calculations confirm that 1,1,2,2-tetrachloro-1,3-disilacyclopentane exists as single twist conformer in gaseous and liquid states as well as isolated in Ar and N2 matrices. Fast dissociation of 1,1,2,2-tetrachloro-1,3-disilacyclopentane takes place in gas phase, while the molecule remains stabile in condensed phase. The spectral data and results of DFT calculations in anharmonic approximation confirm that dissociation of... (More)
Raman spectra of liquid, and infrared spectra of gaseous as well as matrix isolated 1,1,2,2-tetrachloro-1,3-disilacyclopentane were recorded and analyzed with the aid of DFT calculations. Complete assignment of the experimental vibrational spectral bands is made. Experimental results and DFT calculations confirm that 1,1,2,2-tetrachloro-1,3-disilacyclopentane exists as single twist conformer in gaseous and liquid states as well as isolated in Ar and N2 matrices. Fast dissociation of 1,1,2,2-tetrachloro-1,3-disilacyclopentane takes place in gas phase, while the molecule remains stabile in condensed phase. The spectral data and results of DFT calculations in anharmonic approximation confirm that dissociation of 1,1,2,2-tetrachloro-1,3-disilacyclopentane starts with the cleavage of CC bond of the five membered ring. Dichlorodimethylsilane and HCl were found to be the main products of the dissociation. The geometry and stability of the title molecule is discussed in the light of recent publications on the studies of similar substituted disilacyclapentanes. (Less)
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author
publishing date
type
Contribution to journal
publication status
published
in
Vibrational Spectroscopy
volume
81
pages
136 - 143
publisher
Elsevier
external identifiers
  • scopus:84946848647
ISSN
0924-2031
DOI
10.1016/j.vibspec.2015.11.002
language
English
LU publication?
no
id
d9ab0014-831c-4bc7-be33-272bb51afb1a
date added to LUP
2019-03-26 10:31:09
date last changed
2019-03-31 05:06:56
@article{d9ab0014-831c-4bc7-be33-272bb51afb1a,
  abstract     = {Raman spectra of liquid, and infrared spectra of gaseous as well as matrix isolated 1,1,2,2-tetrachloro-1,3-disilacyclopentane were recorded and analyzed with the aid of DFT calculations. Complete assignment of the experimental vibrational spectral bands is made. Experimental results and DFT calculations confirm that 1,1,2,2-tetrachloro-1,3-disilacyclopentane exists as single twist conformer in gaseous and liquid states as well as isolated in Ar and N2 matrices. Fast dissociation of 1,1,2,2-tetrachloro-1,3-disilacyclopentane takes place in gas phase, while the molecule remains stabile in condensed phase. The spectral data and results of DFT calculations in anharmonic approximation confirm that dissociation of 1,1,2,2-tetrachloro-1,3-disilacyclopentane starts with the cleavage of CC bond of the five membered ring. Dichlorodimethylsilane and HCl were found to be the main products of the dissociation. The geometry and stability of the title molecule is discussed in the light of recent publications on the studies of similar substituted disilacyclapentanes.},
  author       = {Ceponkus, Justinas and Sablinskas, Valdas and Aleksa, V and Pucetaite, Milda and Platakyte, R. and Reed, C. W. and Cotter, C. P. and Guirgis, G. A. },
  issn         = {0924-2031},
  language     = {eng},
  pages        = {136--143},
  publisher    = {Elsevier},
  series       = {Vibrational Spectroscopy},
  title        = {Raman and infrared spectroscopic studies of structure and stability of 1,1,2,2-tetrachloro-1,3-disilacyclopentane},
  url          = {http://dx.doi.org/10.1016/j.vibspec.2015.11.002},
  volume       = {81},
  year         = {2015},
}