Abstract
The most probable coordination numbers for aquacomplexes of Bi(III), Bi(II), and Bi(I) ions are found in terms of a density functional method (version B3LYP) with allowance for the effect of dielectric medium in the self-consistent reaction field model. Thermodynamic parameters of hydration of these ions are calculated and used for evaluating standard redox potentials of half-reactions involving the ions.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
Latimer, W.M., The Oxidation States of the Elements and Their Potentials in Aqueous Solutions, New York: Prentice-Hall, 1952.
Tur'yan, Ya.I., Okislitel'no-vosstanovitel'nye reaktsii i potentsialy v analiticheskoi khimii (Redox Reactions and Potentials in Analytical Chemistry), Moscow: Khimiya, 1989.
Vasil'ev, V.P., Termodinamicheskie svoistva rastvorov elektrolitov (Thermodynamic Properties of Electrolytic Solutions), Moscow: Vysshaya Shkola, 1982.
Kozin, L.F., Elektroosazhdenie i rastvorenie mnogovalentnykh metallov (Electrodeposition and Dissolution of Multivalent Metals), Kiev: Naukova Dumka, 1989.
Ershov, B.G., Usp. Khim., 1997, vol. 66, p. 103.
Yatsimirskii, K.B., Teor. Eksp. Khim., 1994, vol. 30, p. 1.
Frisch, M., Trucks, G.W., Schlegel, H.B., et al., Gaussian 98: Revision A.9, Pittsburgh: Gaussian Inc., 1998.
Becke, A., J. Chem. Phys., 1993, vol. 98, p. 5648.
Lee, C., Yang, W., and Parr, R.G., Phys. Rev. B: Condens. Matter, 1988, vol. 37, p. 785.
Wadt, W.R. and Hay, P.J., J. Chem. Phys., 1985, vol. 82, p. 284.
McGrath, M.P. and Radom, L., J. Chem. Phys., 1991, vol. 94, p. 511.
Miertus, S., Scrocco, E., and Tomasi, J., Chem. Phys., 1981, vol. 55, p. 117.
Miertus, S. and Tomasi, J., Chem. Phys., 1982, vol. 65, p. 239.
Cossi, M., Barone, V., Cammi, R., and Tomasi, J., Chem. Phys. Lett., 1996, vol. 255, p. 327.
Cances, M.T., Mennucci, V., and Tomasi, J., Chem. Phys., 1997, vol. 107, p. 3032.
Barone, V., Cossi, M., Mennucci, V., and Tomasi, J., Chem. Phys., 1997, vol. 107, p. 3210.
Cossi, M., Barone, V., Mennucci, V., and Tomasi, J., Chem. Phys. Lett., 1998, vol. 286, p. 253.
Barone, V., Cossi, M., and Tomasi, J., J. Comput. Chem., 1998, vol. 19, p. 404.
Barone, V. and Cossi, M., J. Phys. Chem. A, 1998, vol. 102, p. 1995.
Komorsky-Lovric, S., Lovric, M., and Branica, M., J. Electrochem. Soc., 1993, vol. 140, p. 1850.
Kuznetsov, An.M., Maslii, A.N., and Shapnik, M.S., Elektrokhimiya, 2000, vol. 36, p. 1471; p. 1477.
Maslii, A.N., Shapnik, M.S., and Kuznetsov, An.M., Elektrokhimiya, 2001, vol. 37, p. 722.
Kuznetsov, An.M., Maslii, A.N., and Shapnik, M.S., Elektrokhimiya, 2002, vol. 38, p. 144.
Gillespie, R.J. and Hargittai, I., The VSEPR Model of Molecular Geometry, Boston: Allyn and Bacon, 1990. Translated under the title Model' ottalkivaniya elektronnykh par valentnoi obolochki i stroenie molekul, Moscow: Mir, 1992.
Maroni, V.A. and Spiro, T.G., J. Am. Chem. Soc., 1966, vol. 88, p. 1410.
Oerttel, R.P. and Plane, R.A., Inorg. Chem., 1967, vol. 6, p. 1960.
Burkov, K.A., Kozhevnikova, G.V., Lilich, L.S., and Myund, L.A., Koord. Khim., 1979, vol. 5, p. 1328.
German, E.D. and Kuznetsov, A.M., Itogi Nauki Tekh., Ser. Kinet. Katal., 1982, vol. 10, p. 115.
Chemistry and the Periodic Table, Saito, K., Ed., Tokyo: Iwarami Shoten, 1979.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Kuznetsov, A.M., Shapnik, M.S., Masliy, A.N. et al. Quantum-chemical Calculation of Standard Redox Potentials of Half-reactions Involving Bismuth Aquacomplexes. Russian Journal of Electrochemistry 38, 669–675 (2002). https://doi.org/10.1023/A:1016362728232
Issue Date:
DOI: https://doi.org/10.1023/A:1016362728232