EPR studies of [CuCl4· 2NH3]2− complex

Expressions have been derived for the spin Hamiltonian parameters $g_{\parallel }{\mathrm{,\; g}}_{\perp }\mathrm{,\; A}$ , and B for Cu²⁴ with a sixfold coordination and having a tetragonal distortion with the unpaired electron in a predominantly $d_{\text{3z}}^2{\mathrm{-r}}^2$ orbital, using LCAO‐MO scheme. Overlap integrals have been considered in treating σ bonds. The theory has been applied to $[{\mathrm{CuCl}}_4\text{· 2}{\mathrm{NH}}_3{]}^{\text{2−}}$ complex in ND₄ Cl single crystal. It is found that this complex exhibits strong out of plane π bonding.