VIBRATIONAL SPECTRA OF POLYCRYSTALLINE ETHANES
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Date
1978
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Publisher
Ohio State University
Abstract
The vibrational spectra of various deuterium-isotope substituted crystalline ethanes (pure and mixed) are being investigated by Raman and infrared techniques. The absence of a center of symmetry and the loss of $D_{3d}$ symmetry in the partially-deuterated species Leads to obvious differences in the spectra, compared to the $-d_{0}$ and $-d_{6}$ molecules previously $reported,^{1,2}$ The observed spectra of $C_{2}H_{6}$ and $C_{2}D_{6}$ exhibit mutual exclusion, consistent with the centre-symmetric crystal structure of ethane recently determined by x-ray $investigation^{3}$ Analysis of the number, activity, and frequencies of the spectroscopic components is being carried out on the basis of perfect crystal theory and mixed-crystal approximations. A determination of the ``best” intermolecular potential function for crystalline ethane is also in progress.
Description
$^{1}$D. F. Eggers and S. B. Tejada, epectrochimica Acta 32A, 1557 (1976). $^{2}$R. R. Getty and G. E. Leroi, Paper Q7, 24th Molecular Spectroscopy Symposium, Columbus (1969). $^{3}$G.J.H. van Nes and A. Vos, to be published in Acta Cryst.""
Author Institution: Department of Chemistry, Michigan State University
Author Institution: Department of Chemistry, Michigan State University