THE ELECTRONIC STRUCTURE AND THE hfs COUPLING CONSTANTS OF $SH_{2}$ MOLECULE
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Date
1956
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Ohio State University
Abstract
Burris and $Gordy^{1}$ observed in the microwave spectra of $SH_{2}$ that the apex angle is $92^{\circ}6^{\prime}$ and the quadrupole hfs coupling constants are $\chi_{aa}=-32$ Mc/sec $\chi_{bb}=-8$ Mc/sec and $\chi_{cc}=40$ Mc/sec, where the axis a lies between two hydrogen atoms, b is in the molecular plane and perpendicular to a, and c is perpendicular to that plane. The very large asymmetry of $\chi_{aa}$ and $\chi_{bb}$ does not agree with the fact that the angle is nearly $90^{\circ}$ if the s-p hybridization only is considered. It can be explained, however, if we take d-orbitals into account. The bonding orbital of 73.6% p-character, 15.8% d-character and 10.6% s-character was found appropriate.
Description
$^{1}$C. A. Burrus, Jr. and W. Gordy, Phys. Rev. \underline{92}, 274 (1953).""
Author Institution: Department of Physics, Faculty of Science, University of Tokyo; Department of Physics, University of Colorado,
Author Institution: Department of Physics, Faculty of Science, University of Tokyo; Department of Physics, University of Colorado,