Abstract
An extended version of the angular overlap model developed from the fourth-order variational perturbation theory was used to explain why sd mixing for [CuCl6]4− and other pseudooctahedral complexes [CuL6]n− with the split ground state 2E is responsible for strong softening of the vibrational E mode, which results in lengthening and even cleavage of the bonds between the metal atom and the axial ligands.
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