Answers are grounded in this paper and cite their sources.
Expressions for the spin Hamiltonian parameters g∥, g⊥, A, and B have been derived for Cu2+ in a tetragonal field with the unpaired electron in a predominantly d3z2−r2 orbital, using a LCAO-MO scheme. Overlap integrals have been considered in treating σ bonds. The nondiagonal first order contribution to the hyperfine structure anisotropy is included. The theory has been applied to NH4Br:Cu2+. It is found that the complex exhibits strong out of plane π bonding. The contribution of the nondiagonal elements to the hyperfine structure anisotropy is found to be small.
No takes yet. Share an insight, caveat, or question.
Narayana et al. (1973) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: