Spin-rotation interaction constants for bent AH2molecules in doublet electronic states
- 1 January 1965
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 10 (1) , 1-6
- https://doi.org/10.1080/00268976600100011
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.Keywords
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