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Stabilization of octacoordinate carbon center in metal-containing derivatives of orthocarbonic acid

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Abstract

The electronic and spatial structures of alkali metal compounds CO3M2, CO3M3 +, and CO4M4 (M = Li, Na, K) were investigated by the ab initio (MP2(full)/6-311+G**) and density functional (B3LYP/6-311+G**) methods. The calculated energies of formation decrease in the order E Li > E Na > E K for all structural types, being determined by steric and orbital interactions. Stable structures with octacoordinate carbon are formed in the case of CO4M4 salts.

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Authors and Affiliations

  1. Southern Research Center of the Russian Academy of Sciences, 194/2 prosp. Stachki, 344090, Rostov-on-Don, Russian Federation

    T. N. Gribanova, O. A. Gapurenko, R. M. Minyaev & V. I. Minkin

  2. Institute of Physical and Organic Chemistry at Rostov State University, 194/2 prosp. Stachki, 344090, Rostov-on-Don, Russian Federation

    T. N. Gribanova, O. A. Gapurenko, R. M. Minyaev & V. I. Minkin

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  1. T. N. Gribanova
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  2. O. A. Gapurenko
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  3. R. M. Minyaev
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  4. V. I. Minkin
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Dedicated to Academicians A. L. Buchachenko and N. S. Zefirov on the occasions of their 70th birthdays.

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1929–1938, September, 2005.

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Gribanova, T.N., Gapurenko, O.A., Minyaev, R.M. et al. Stabilization of octacoordinate carbon center in metal-containing derivatives of orthocarbonic acid. Russ Chem Bull 54, 1989–1998 (2005). https://doi.org/10.1007/s11172-006-0070-0

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  • DOI: https://doi.org/10.1007/s11172-006-0070-0

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