Title : Valence tautomeric dinuclear adducts of Co(II) diketonates with redox-active diquinones for the design of spin qubits: computational modeling.

Pub. Date : 2015 Jan 28

PMID : 25494338






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1 The possibility of employing the mechanism of intramolecular electron transfer between metal and ligand centers in the valence tautomeric complexes formed as electrically neutral 2 : 1 adducts of Co(II) diketonates and redox-active tetradentate di-o-quinones, for quantum information processing, has been computationally studied using the DFT B3LYP*/6-311++G(d,p) method. Metals mitochondrially encoded cytochrome c oxidase II Homo sapiens