15min:
THE OPTICAL STARK SPECTRA OF CoF AND CoH.

HAILING WANG, XIUJUAN ZHUANG AND TIMOTHY C. STEIMLE, Department of Chemistry and Biochemistry, Arizona State University, Tempe,AZ 85287.

Comparing the predicted and observed permanent electric dipole moments, µel, for simple diatomic cobalt containing molecules is a means of testing computational methodologies used for modeling cobalt-catalyzed reactions. Here we report on the experimental determination of µel for CoH and CoF from the analysis of the Stark shifts in the (0,0) bands of the A'3 Phi4-X3 Phi4 system of cobalt monohydride, CoH, and the [18.8]3 Phi4-X3 Phi4 system of cobalt monofluoride, CoF. In addition, the proton magnetic hyperfine interaction in CoH is analyzed. The relative values for µel are rationalized using a molecular orbital correlation diagram and with high-level ab initio predictions.