Abstract
The mechanism of formation of the polyhydrate environment of monomethylmercury, -cadmium, and -zinc cations is investigated by MP2, SVWN5, and B3LYP quantum-chemical methods using the LANL2DZ basis (ExtraBasis). An anomalously high stability of the monomethylmercury cation in aqueous media is explained by the increased donor ability of the mercury atom affecting the formation of an inner-spheric polyhydrate environment, stabilizing both the cation and the Hg–C bond. The cadmium and zinc analogs of the mercury cation do not possess this property.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
Methylmercury (Environmental Health Criteria 101), World Health Organization (WHO), Geneva (1990).
S. A. Sukhenko, Mercury in Water Storage:A New Aspect of Anthropogenic Pollution of Biosphere [in Russian ], Institute of Water and Ecological Problems, Novosibirsk (1995).
P. J. Craig and P. A. Moreton, Envir. Poll., Ser. B, 10, 141-158 (1985).
W. I. Fitzgerald and C. J. Watras, Sci. Total Environ., 87/88, 223-232 (1989).
H. Akagi, Y. Fujita, and E. Takabatake, Chem. Lett., 761-766 (1974).
K. Hayashi. J. Chem. Soc., Chem. Commun., 158-159 (1977).
R. D. Rogers, J. Environ. Qual., 6, 463-470 (1977).
P. J. Craig and S. F. Morton, J. Organomet. Chem., 145, 79-83 (1978).
I. M. Trakhtenberg and N. M. Korshun, Mercury and Its Compounds in the Environment [in Russian ], Vysshaya Shkola, Kiev (1990).
B. Freedman, Environmental Ecology, Academic Press San Diego (1989).
Principles of Ecotoxicology (SCOPE 12), Wiley, New York (1979).
T. A. Jackson, Can. J. Fish Aquat. Sci., 48 No.10, 1873-1887 (1986).
T. A. Jackson, Canada -Manitoba Agreement on Study and Monitoring of Mercury, Vol. 2, Manitoba, Canada (1987).
M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., GAUSSIAN-98, Revision A. 6, Gaussian Inc. Pittsburgh, PA (1998).
R. M. Minyaev, Usp. Khim., 63, 939-961 (1994).
M. J. Dewar and W. Thiel, J. Am. Chem. Soc., 99, 4899-4907 (1977).
M. J. Dewar and G. L. Grady, Organomet., 4, 1964-1968 (1985).
T. Clark, A Handbook of Computational Chemistry:A Practical Guide to Chemical Structure and Energy Calculations, Wiley, New York (1985).
P. Pyykkö, Chem. Rev., 88, 563-594 (1988).
P. Pyykkö and J. P. Desclaux, Acc. Chem. Res., 276-281 (1979).
P. P. Singh, Phys. Rev., B49, 4954-4958 (1994).
P. P. Singh, Phys. Rev. Lett., 72, 2446-2449 (1994).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Shagun, V.A., Shevchenko, S.G. & Frolov, Y.L. Quantum-Chemical Study of Hydration Effects for Monomethylmercury, -Cadmium, and -Zinc Cations. Journal of Structural Chemistry 44, 736–740 (2003). https://doi.org/10.1023/B:JORY.0000029808.94729.d5
Issue Date:
DOI: https://doi.org/10.1023/B:JORY.0000029808.94729.d5