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Coordination isomerism of the complex of o-methoxybenzoyl chloride with tetrachlorostannane. The results of ab initio calculations

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Abstract

Quantum-chemical calculations of three isomers of the o-methoxybenzoyl chloride complex with tetrachlorostannane and of their components were performed applying the RHF/3-21G* and MP2/3-21G* methods. It was found that a complex with trigonal-bipyramidal structure is formed, its formation occurred through the interaction of ester (not carbonyl) oxygen atom with tin atom. This complex eventually is transformed into the energetically more favorable cis-octahedral complex of the same composition. The tin atom in the latter complex interacts with two oxygen atoms. The reasons for the formation of energetically unfavorable complex of trigonal-bipyramidal structure is the almost equal probability of the existence of various possible forms of o-methoxybenzoyl chloride and therefore higher probability of the Sn atom to interact with the ester oxygen atom possessing a much more negative charge than the carbonyl oxygen.

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Authors and Affiliations

  1. Institute of Technical Chemistry, Ural Branch, Russian Academy of Sciences, ul. Akademika Koroleva 3, Perm, 614013, Russia

    V. P. Feshin & E. V. Feshina

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  1. V. P. Feshin
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  2. E. V. Feshina
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Correspondence to V. P. Feshin.

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Original Russian Text © V.P. Feshin, E.V. Feshina, 2011, published in Zhurnal Obshchei Khimii, 2011, Vol. 81, No. 3, pp. 401–406.

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Feshin, V.P., Feshina, E.V. Coordination isomerism of the complex of o-methoxybenzoyl chloride with tetrachlorostannane. The results of ab initio calculations. Russ J Gen Chem 81, 497–502 (2011). https://doi.org/10.1134/S1070363211030091

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  • DOI: https://doi.org/10.1134/S1070363211030091

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