Research Article
A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one and Its Derivatives
Figure 4
Schematic representation of frontier molecular orbitals of M-ADPHT complexes (R = H): neutral ligand-divalent metal cation complexes (a) and deprotonated ligand-divalent metal cation complexes (b).
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(b) |