CENTRIFUGAL DISTORTION CONSTANTS AND GROUND STATE ROTATIONAL CONSTANTS FOR $METHANE-d_{2}$
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Date
1964
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Publisher
Ohio State University
Abstract
A theoretical calculation of the centrifugal distortion constants for the ground state of the asymmetric rotor molecule $methane-d_{2}$ has been performed. Values obtained were: $D_{J}=4.890_{2}\times 10^{-5} cm^{-1}, D_{JK} =-0.839_{4}\times 10^{-5} cm^{-1}$, and $D_{K} = 6.665_{9}\times 10^{-5} cm^{-1}$. On the basis of these constants a correction for centrifugal distortion was made to the rigid rotor approximation for the energy levels using the results of Kivelson and $Wilson^{1}$. A B-type band in the region 5880 to $6136 cm^{-1}$ observed in the Molecular Spectroscopy Laboratory at Arizona State University and an A and C-type band reported by Olson, Allen and $Plyler^{2}$ were analyzed utilizing the corrected energy levels. Values of the ground state rotational constants obtained from the analysis of these three bands, assuming tetrahedral angles and equal equilibrium bond distances, were: $A = 4.301_{5} cm^{-1}, B = 3.505_{4} cm^{-1}, C = 3.053_{6} cm^{-1}$, and $r = 1.092_{5} {\AA}$.
Description
$^{1}$ D. Kivelson and E. B. Wilson, Jr., J. Chem. Phys. 20, 1575 (1952). $^{2}$ W. B. Olson, H. C. Allen, Jr. and E. K. Plyler, J. Research Natl. Bur. Standards 67A, 27 (1963).
Author Institution: Department of Physics, Arizona State University
Author Institution: Department of Physics, Arizona State University