Abstract
Potential surface sections in the complexes of SO 2-3 with Li+ and Na+ are calculated by the CNDO method with a modified potential of interaction between the cores. It is established that the equilibrium geometry of the coordinated sulfite ion corresponds to the bidentate coordination of the onion to the Li+ and Na+ cations. Frequencies of normal vibrations are determined for four types of anion coordination to cations and compared with the experimental frequencies in aqueous sodium sulfite. The bidentate coordination gives the best correspondence with the experimental spectrum.
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Translated from Zhurnal Struktumoi Khimii, Vol. 38, No. 2, pp. 282–286, March–April, 1997.
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Perelygin, I.S., Shatokhin, S.A. & Tuchkov, S.V. Structure, interaction potentials, and vibrational spectra of the sulfite ion coordinated to alkaline element ions. J Struct Chem 38, 227–230 (1997). https://doi.org/10.1007/BF02762650
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DOI: https://doi.org/10.1007/BF02762650