15min:
THE MILLIMETER/SUBMILLIMETER SPECTRUM OF CUSH(X1A'): INVESTIGATION OF THE TRANSITION METAL SULFUR BOND.

A. J. JANCZYK AND L. M. ZIURYS, Department of Chemistry, Department of Astronomy, and Steward Observatory, University of Arizona, Tucson, AZ, 85721.

The pure rotational spectra of 63CuSH and 65CuSH and its deuterated isotopomers were recorded using millimeter/submillimeter-wave direct absorption techniques. The molecule was produced by reacting copper vapor with H2S in the presence of d.c. discharge. Transitions ranging from J = 24 rightarrow 25 to J = 50 rightarrow 51 spanning the region of 262 - 538 GHz were measured for 63CuSH and 65CuSH, as well as transitions J = 32 rightarrow 33 to J = 39 rightarrow 40 for the deuterated species. The spectra showed extensive Ka ladder structure for all species, which is consistent with the molecule being an asymmetric top. Rotational constants, as well as an r0 structure, have been determined for the molecule. This study shows that the molecule is bent with a Cu-S-H angle of Theta = 93.6o, and therefore is different from CuOH, which has a Cu-O-H angle of Theta =110.1o. This striking variation in geometry likely results from a lack of hybridization in the CuSH molecule.