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Hypervalent Intramolecular N→Si Interaction in [Methoxy(methyl)silyl] Derivatives of 8-Mercaptoquinoline: Structural and Spectral Criteria

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Abstract

Quantum-chemical study (B3PW91/6-311G** and MP2/6-311G**) of structural and spectral criteria of the intramolecular coordination bond N→Si existence in [methoxy(methyl)silyl] derivatives of 8-mercaptoquinoline C9H6NSSi(OMe)nMe3–n (n = 1–3) has been carried out. Quantum topological analysis of electron distribution (AIM) has been performed to determine the physical nature of the hypervalent interaction. It has been found that the energy of the N→Si hypervalent bond depends on the number of the methoxy groups in the Si(OMe)3 fragment.

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Authors and Affiliations

  1. A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy Sciences, 664033, Irkutsk, Russia

    V. V. Belyaeva, Yu. I. Bolgova & O. M. Trofimova

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  1. V. V. Belyaeva
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  2. Yu. I. Bolgova
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  3. O. M. Trofimova
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Correspondence to V. V. Belyaeva.

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To the 100th Anniversary of M.G. Voronkov

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Belyaeva, V.V., Bolgova, Y.I. & Trofimova, O.M. Hypervalent Intramolecular N→Si Interaction in [Methoxy(methyl)silyl] Derivatives of 8-Mercaptoquinoline: Structural and Spectral Criteria. Russ J Gen Chem 92, 224–230 (2022). https://doi.org/10.1134/S1070363222020116

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