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The electronic structures and bonding properties of the Mo-Cu-S complexes with a general formula [MoS4(CuCN)n]2-(n=1,2)have been investigated by using CNDO/2 method,and the effect of electron transfer on the formation of the Mo-Cu-S complexes has been discussed based on the bonding properties and the energy of the frontier orbitals.
The electronic structures and bonding properties of the Mo-Cu-S complexes with a general formula [MoS4 (CuCN) n] 2- (n = 1,2) have been investigated by using CNDO / 2 method, and the effect of electron transfer on the formation of the Mo-Cu-S complexes has been discussed based on the bonding properties and the energy of the frontier orbitals.