Quantum Chemical Study of the Adducts of Azomethine Cobalt Complexes with Acenaphthene-1,2-diimines

摘要

Adducts based on the cobalt azomethine bis-chelates and acenaphthene-1,2-diimines have been studied using the density functional theory method [DFT B3LYP*/6-311++G(d, p)]. It has been shown that the stability of the formed complexes with respect to dissociation and the ability to demonstrate valence tautomeric properties can be controlled by functionalization of the ligands. Compounds have been revealed whose magnetic properties vary due to intramolecular redox process.