ROTATIONAL SPECTRA AND STRUCTURES OF $(OCS)_{2}CO_{2}$ and $(OCS)_{3}$
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Date
1999
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Publisher
Ohio State University
Abstract
The structures of $(OCS)_{2}CO_{2}$ and $(OCS)_{3}$ have been determined from rotational spectra obtained using a pulsed nozzle Fourier transform spectrometer. The two trimers have a barrel like monomer arrangement commonly seen in similar complexes. In $(OCS)_{2}CO_{2}$, the two OCS units have an anti-parallel arrangement, like the OCS dimer, but twisted from planarity by $34^{\circ}$. The$ CO_{2}$ straddles both of them in an approximately parallel orientation. In $(OCS)_{3}$, two of the OCS molecules are again nearly anti-parallel with the third OCS straddling them. Seven isotopic species were assigned for $(OCS)_{2}CO_{2}$. Two isotopic species were assigned for $(OCS)_{3}$, to supplement the normal species data previously $reported.^{a}$ The dipole moments of the trimers are consistent with the derived structures. Comparisons of the structures with results from a semi-empirical model including electrostatic, dispersion and repulsive terms will be presented.
Description
$^{a}$ J.P. Connelly, A. Bauder, A. Chisholm and B.J. Howard, Mol. Phys. 88 (1996) 915
Author Institution: University of Michigan, Department of Chemistry
Author Institution: University of Michigan, Department of Chemistry