Quantum chemical modeling of valence tautomeric adducts of CoII bischelates with pyrene-4,5-diimines
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DOI: 10.1007/s11172-017-1721-z
Abstract: Quantum chemical study of mixed-ligand (1: 1) adducts of tetracoordinated cobalt complexes (diketonates, bis-aminovinylketonates, and bis-salicylaldiminates) with pyrene-4,5-diimines using density functional theory (DFT B3LYP*/6-311++G(d,p)) revealed compounds possessing valence tautomeric properties. The mechanisms of intramolecular electron… read more here.
Keywords: pyrene diimines; quantum chemical; chemical modeling; modeling valence ... See more keywords