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Structure and intramolecular lability of N-(thio)phosphoryl(thio)amides: XIV. Electronic structure and spatial arrangement of N-[diisopropoxy(thio)phosphoryl](thio)benzamides

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Abstract

Semiempirical quantum-chemical calculations of the spatial arrangement and electronic structure of the tautomeric forms of N-[diisopropoxy(thio)phosphoryl](thio)benzamides were carried out by the PM3 method. The most energetically favorable forms were revealed, and the reasons for their stabilization were discussed.

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  1. Kazan State Universiry, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008, Russia

    F. Kh. Karataeva

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  1. F. Kh. Karataeva
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Original Russian Text © F.Kh. Karataeva, 2006, published in Zhurnal Obshchei Khimii, 2006, Vol. 76, No. 1, pp. 95–101.

For communication XIII, see [1].

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Karataeva, F.K. Structure and intramolecular lability of N-(thio)phosphoryl(thio)amides: XIV. Electronic structure and spatial arrangement of N-[diisopropoxy(thio)phosphoryl](thio)benzamides. Russ J Gen Chem 76, 91–97 (2006). https://doi.org/10.1134/S1070363206010178

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  • DOI: https://doi.org/10.1134/S1070363206010178

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