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Quantum chemical study of the adducts of azomethine cobalt complexes with acenaphthene-1,2-diimines

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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… Click to show full abstract

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.

Keywords: quantum chemical; acenaphthene diimines; adducts azomethine; study adducts; azomethine cobalt; chemical study

Journal Title: Russian Journal of General Chemistry
Year Published: 2017

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