High-resolution spectroscopic studies of bonding in gas phase diatomic radical molecules.

摘要

High-resolution spectra of four diatomic radical molecules, CuO, CuS, CH and NiH, were recorded. The spectra were fit to an effective Hamiltonian model, and model parameters were determined. The experimentally determined values of the parameters were compared with values predicted by theoretical calculations, with particular attention given to the permanent electric dipole moment of CH and the copper-containing molecules, and to magnetic hyperfine parameters for the copper-containing and nickel-containing molecules. Interpretations of the comparisons are offered in terms of transition metal bonding models, electron distributions, and molecular wavefunctions.