Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene.
Document type :
Compte-rendu et recension critique d'ouvrage
DOI :
PMID :
Title :
Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene.
Author(s) :
Kassi, Samir [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Grée, D. [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Grée, R. [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Duflot, Denis [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Petitprez, Denis [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Wlodarczak, Georges [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Grée, D. [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Grée, R. [Auteur]
Ecole Nationale Supérieure de Chimie de Rennes [ENSCR]
Duflot, Denis [Auteur]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Petitprez, Denis [Auteur]

Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Wlodarczak, Georges [Auteur]

Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Journal title :
Journal of Molecular Spectroscopy
Pages :
19-23
Publisher :
Elsevier
Publication date :
2000-07
ISSN :
0022-2852
HAL domain(s) :
Chimie/Chimie théorique et/ou physique
English abstract : [en]
The rotational spectrum of the 1-cyano-3-fluoro-but-1-ene has been recorded with a pulsed-nozzle microwave Fourier transform spectrometer over the range 6-20 GHz. The frequencies were fitted to the Hamiltonian of Watson ...
Show more >The rotational spectrum of the 1-cyano-3-fluoro-but-1-ene has been recorded with a pulsed-nozzle microwave Fourier transform spectrometer over the range 6-20 GHz. The frequencies were fitted to the Hamiltonian of Watson (A-reduction, I(r) representation). The resulting rotational constants are A = 7493.404(1) MHz, B = 1211.9831(2) MHz, and C = 1096.0908(1) MHz. By comparing the experimental rotational constants with those obtained by ab initio calculations, we found without ambiguity that the stable conformation for the molecule is the one with the fluorine atom lying in the C&bond;CCN plane (CF-eclipsed conformer). Copyright 2000 Academic Press.Show less >
Show more >The rotational spectrum of the 1-cyano-3-fluoro-but-1-ene has been recorded with a pulsed-nozzle microwave Fourier transform spectrometer over the range 6-20 GHz. The frequencies were fitted to the Hamiltonian of Watson (A-reduction, I(r) representation). The resulting rotational constants are A = 7493.404(1) MHz, B = 1211.9831(2) MHz, and C = 1096.0908(1) MHz. By comparing the experimental rotational constants with those obtained by ab initio calculations, we found without ambiguity that the stable conformation for the molecule is the one with the fluorine atom lying in the C&bond;CCN plane (CF-eclipsed conformer). Copyright 2000 Academic Press.Show less >
Language :
Anglais
Popular science :
Non
Source :
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