Microwave Spectrum of 1-Cyano-3-fluoro-but-1-ene.

Kassi, Samir; Grée, D.; Grée, R.; Duflot, Denis; Petitprez, Denis; Wlodarczak, Georges

Document type :

Article dans une revue scientifique: Article original

DOI :

10.1006/jmsp.2000.8123

PMID :

10837163

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]

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 >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Collections :

Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM) - UMR 8523

Source :

Harvested from HAL

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