Abstract
Potential interaction surface of polyhydrated monomethyl mercury cation with inorganic ligands (X = Cl, Br, I, HO, HS, HSe) has been studied by quantum chemical methods. Thermodynamic and kinetic parameters of complexation processes were determined. A relative stability of polyhydrated complexes (Me-Hg—X) to the dissociation of coordination bond Hg—X was found to increase in the series: HO ≪ I < Br < HS < HSe < Cl.
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Original Russian Text Copyright © 2005 by V. A. Shagun, S. G. Shevchenko, V. I. Smirnov, and Yu. L. Frolov
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Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No.2, pp. 238–244, March–April, 2005.
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Shagun, V.A., Shevchenko, S.G., Smirnov, V.I. et al. Quantum chemical study of complexation effects of monomethyl mercury cation with inorganic ligands (Cl, Br, I, HO, HS, HSe) in aqueous medium. J Struct Chem 46, 230–236 (2005). https://doi.org/10.1007/s10947-006-0035-z
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DOI: https://doi.org/10.1007/s10947-006-0035-z