Abstract
Electronic structures of a series of aromatic N2O2-azomethines and their complexes with Cu(II) have been simulated by quantum chemistry methods. By analyzing the spin density and the highest occupied molecular orbital structure of the single-electron oxidation products (cation-radicals) of the monomers, we have concluded about possibility of the monomers polymerization to give the electroconductive polymers.
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Original Russian Text © O.V. Golov, A.M. Golyakov, V.N. Pak, A.N. Borisov, 2014, published in Zhurnal Obshchei Khimii, 2014, Vol. 84, No. 1, pp. 132–137.
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Golov, O.V., Golyakov, A.M., Pak, V.N. et al. Quantum-chemical justification of possibility of electrochemical polymerization of N2O2 azomethines and their complexes with Cu(II). Russ J Gen Chem 84, 125–130 (2014). https://doi.org/10.1134/S1070363214010198
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DOI: https://doi.org/10.1134/S1070363214010198