Spin-rotation interaction constants for bent AH2molecules in doublet electronic states

Abstract

Expressions are derived for the spin-rotation interaction constants of bent dihydrides of Group III and Group V elements. These give excellent agreement with the observed constants for the ² B ₁ ground state of NH₂ when used with SCF molecular orbitals. These constants are then used to examine the validity of two more approximate models of the electronic structure of NH₂. The models are applied to PH₂, and the observed spin-rotation interaction constants suggest that there is almost pure p-bonding in the ² B ₁ ground state of PH₂, but there is extensive s-p mixing in the ² A ₁ excited state.