THE ROTATIONAL SPECTRA AND STRUCTURES OF TWO ISOMERS OF THE HCCH-OCS DIMER
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Publisher:Ohio State University
Two isomers of the HCCH-OCS dimer have been characterized by pulsed supersonic nozzle. Fourier-transform microwave spectroscopy. The more stable isomer has the acetylene and OCS molecules aligned almost parallel, while the higher energy from is T-shaped, with the S atom the OCS interacting with the triple bond of the acetylene. The experimentally determined structures will be compared to results obtained from a semi-empirical modeling program and ab initio calculations.
Author Institution: Department of Chemistry, University of Michigan.