Abstract
A structure of inclusion compound based on Cu(II) bis(ethylenediamine) complex and macrocyclic cavitand cucurbit[8]uril was studied by density functional theory, and thermodynamic parameters of its formation were assessed. The results of quantum chemical calculations were compared with available experimental data.
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Original Russian Text © T.N. Grishaeva, A.N. Masliy, V.V. Bakovets, A.M. Kuznetsov, 2015, published in Zhurnal Neorganicheskoi Khimii, 2015, Vol. 60, No. 10, pp. 1364–1370.
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Grishaeva, T.N., Masliy, A.N., Bakovets, V.V. et al. Inclusion compound based on Bis(ethylenediamine)copper(II) complex and cucurbit[8]uril: Quantum chemical prediction for structure and formation thermodynamic parameters. Russ. J. Inorg. Chem. 60, 1247–1252 (2015). https://doi.org/10.1134/S0036023615100071
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DOI: https://doi.org/10.1134/S0036023615100071