A COMPLETE STRUCTURE OF THE ANTI ROTAMER OF 1,2-DIFLUOROETHANE FROM HIGH RESOLUTION INFRARED SPECTROSCOPY
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Date
1996
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
In the high resolution infrared spectra of both the $^{13}C_{2}$ and the $d_{4}$ isotopomers of 1,2-difluoroethane, a B-type band has been analyzed. This band, which is due largely to antisymmetric CF bending, is at $279.410 cm^{-1}$ for the $^{13}C_{2}$ species and at $264.257 cm^{-1}$ for the $d_{4}$ species. From fitting 663 ground state combination differences (GSCD) to a Watson-type Hamiltonian, GS rotational constants for the $^{13}C_{2}$ species are $A = 1.022398 (2), B = 0.128825 (8)$, and $C = 0.119682 (8)$ $cm^{-1}$ with $\kappa = 0.9798$. From fitting 950 GSCDs, the GS rotational constants for the $d_{4}$ species are $ A = 0.6902091 (11), B = 0.1253009 (6)$, and $C = 0.1154862 (6)$ $cm^{-1}$ with $\kappa = -0.9658$. Upper state constants have also been fitted to the central parts of the bands. From the GS constants for the $d_{0}$ $species^{a}$ as well as for the $^{13}C_{2}$ and $d_{4}$ species, a largely $r_{5}$ structure has been found. These structural paramenters will be compared with those of the gauche rotamer found from microwave $spectroscopy.^{b}$
Description
$^{a}$N. C. Craig, S. Klee, G. C. Mellau, B. P. Winnewisser and M. Winnerwisser, to be published. $^{b}$H. Takeo, C. Matsumura and Y. Morino, J. Chem. Phys. 97, 4205 (1986)
Author Institution: Department of Chemistry, Oberlin College; Physikalisch-Chemisches Institut, der Justus-Liebig-Universit\'{t}
Author Institution: Department of Chemistry, Oberlin College; Physikalisch-Chemisches Institut, der Justus-Liebig-Universit\'{t}