Abstract
Tautomeric 1,3-N, N′-migrations of 2,4,6-trinitrophenyl group in the derivatives of N, N′-diarylbenzamidine and N, N′-diarylformamidine have been studied by quantum-chemical simulations using the B3LYP/6-311++G(d, p) method of density functional theory.
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Funding
This study was performed in the scope of the State Task from the Ministry of Education and Science Russia (project no. 4.979.2017/4.6) and Southern Research Center of Russian Academy of Sciences (state registration no. 01201354239).
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Russian Text © The Author(s), 2020, published in Zhurnal Obshchei Khimii, 2020, Vol. 90, No. 1, pp. 10–17.
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Dushenko, G.A., Mikhailov, I.E. & Minkin, V.I. Reversible Rearrangements of 2,4,6-Trinitrophehyl Group in an Amidine System. Russ J Gen Chem 90, 7–12 (2020). https://doi.org/10.1134/S1070363220010028
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DOI: https://doi.org/10.1134/S1070363220010028