Structures and thermochemistry of the alkali metal monoxide anions, monoxide radicals, and hydroxides.

The geometries, enthalpies of formation (DeltaH(o)(f)), separations of electronic states, electron affinities, gas-phase acidities, and bond dissociation energies associated with the alkali metal monoxide anions (MO(-)), monoxide radicals (MO(*)), and hydroxides (MOH) (M = Li, Na, and K) have been investigated using single-reference and multireference variants of the WnC procedures. Our best estimates of the DeltaH(o)(f) values for the ground states at 298 K are as follows: 8.5 ((3)Pi LiO(-)), 48.