HERBERT M. PICKETT, DANIEL A. OBENCHAIN, G. S. GRUBBS II AND STEWART E. NOVICK, Department of Chemistry, Wesleyan University, 52 Lawn Avenue, Middletown, CT, 06459-0180, USA .
Rotational transitions of the p -H2-CuCl and o -H2-CuCl have been observed on a laser ablation equipped FTMW cavity instrument. Computational studies preformed using the APFD density functional and MP2 level of theory were used to predict the structure of the p -H2-CuCl. Measurements from the J=1--0 to the J=3--2 transitions were used to determine the rotational constants, centrifugal distortion constants, and quadrupole coupling constants for multiple isotopologues of the p -H2-CuCl species. Similar constants, including spin-spin coupling constants, have also been determined for the o -H2-CuCl species for the J=2--1 and the J=3--2 transitions. The eQq of the copper in p -H2-63Cu35Cl was found to be 52.058(2) MHz, a change from the monomer 63Cu35Cl value of 16.1712(24) MHz.