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High-resolution infrared study of collisionally cooled trans-1,2-dichloroethylene

Larsen, R. Wugt; Hegelund, F.; Engdahl, Anders LU ; Uvdal, Per LU and Nelander, Bengt LU (2007) In Journal of Molecular Spectroscopy 243(1). p.99-102
Abstract
A recently constructed long-path enclosive flow cooling apparatus is employed to obtain the Fourier transform gas-phase infrared absorption spectrum of natural isotopic trans-1,2-dichloroethylene with a resolution of 0.00190 cm(-1) in the 800-1000 cm(-1) spectral region. The rotational structure of the out-of-plane CH flapping fundamental has been analyzed for the isotopic analogues Cl-35(2) and (ClCl)-Cl-35-Cl-37 using the Watson A-reduced Hamiltonian model and I-r-representation. A ground-state combination difference analysis for the (ClCl)-Cl-35-Cl-37 isotopomer based on 1402 assigned transitions belonging to the v(6) band yields a band origin of 897.94493(10) cm(-1) and values for the ground-state rotational constants: A(0) =... (More)
A recently constructed long-path enclosive flow cooling apparatus is employed to obtain the Fourier transform gas-phase infrared absorption spectrum of natural isotopic trans-1,2-dichloroethylene with a resolution of 0.00190 cm(-1) in the 800-1000 cm(-1) spectral region. The rotational structure of the out-of-plane CH flapping fundamental has been analyzed for the isotopic analogues Cl-35(2) and (ClCl)-Cl-35-Cl-37 using the Watson A-reduced Hamiltonian model and I-r-representation. A ground-state combination difference analysis for the (ClCl)-Cl-35-Cl-37 isotopomer based on 1402 assigned transitions belonging to the v(6) band yields a band origin of 897.94493(10) cm(-1) and values for the ground-state rotational constants: A(0) = 1.7466454(44) cm(-1), B-0 = 0.05019643(82) cm(-1) and C-0 = 0.04877977(82) cm(-1) together with quartic centrifugal distortion constants. The red-shift of 0.00444(10) cm(-1) observed for the v(6) band origin of (ClCl)-Cl-35-Cl-37 relative to the Cl-35(2), band origin is now consistent with the Rayleigh rule. (c) 2007 Elsevier Inc. All rights reserved. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Molecular Spectroscopy
volume
243
issue
1
pages
99 - 102
publisher
Elsevier
external identifiers
  • wos:000247609200011
  • scopus:34249701334
ISSN
0022-2852
DOI
10.1016/j.jms.2007.04.008
language
English
LU publication?
yes
id
b90d229d-75fb-4426-bb26-a0e3bfcf4725 (old id 647694)
date added to LUP
2007-12-04 15:03:43
date last changed
2017-06-25 04:25:53
@article{b90d229d-75fb-4426-bb26-a0e3bfcf4725,
  abstract     = {A recently constructed long-path enclosive flow cooling apparatus is employed to obtain the Fourier transform gas-phase infrared absorption spectrum of natural isotopic trans-1,2-dichloroethylene with a resolution of 0.00190 cm(-1) in the 800-1000 cm(-1) spectral region. The rotational structure of the out-of-plane CH flapping fundamental has been analyzed for the isotopic analogues Cl-35(2) and (ClCl)-Cl-35-Cl-37 using the Watson A-reduced Hamiltonian model and I-r-representation. A ground-state combination difference analysis for the (ClCl)-Cl-35-Cl-37 isotopomer based on 1402 assigned transitions belonging to the v(6) band yields a band origin of 897.94493(10) cm(-1) and values for the ground-state rotational constants: A(0) = 1.7466454(44) cm(-1), B-0 = 0.05019643(82) cm(-1) and C-0 = 0.04877977(82) cm(-1) together with quartic centrifugal distortion constants. The red-shift of 0.00444(10) cm(-1) observed for the v(6) band origin of (ClCl)-Cl-35-Cl-37 relative to the Cl-35(2), band origin is now consistent with the Rayleigh rule. (c) 2007 Elsevier Inc. All rights reserved.},
  author       = {Larsen, R. Wugt and Hegelund, F. and Engdahl, Anders and Uvdal, Per and Nelander, Bengt},
  issn         = {0022-2852},
  language     = {eng},
  number       = {1},
  pages        = {99--102},
  publisher    = {Elsevier},
  series       = {Journal of Molecular Spectroscopy},
  title        = {High-resolution infrared study of collisionally cooled trans-1,2-dichloroethylene},
  url          = {http://dx.doi.org/10.1016/j.jms.2007.04.008},
  volume       = {243},
  year         = {2007},
}