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A detailed orbital analysis of two seemingly ordinary classes of complexes of group 12 dications, [M(NH3)4]2+ and [M(PH3)4]2+, M = Zn, Cd, Hg, holds a surprise. The PH3 complexes are text-book examples of tetrahedral bonding, but in the ammine complexes calculations reveal a remarkable degree of mixing between occupied M (n-1)d and NH3 σπ orbitals. A perturbation-based Fock matrix examination traces...
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