Abstract
Spatial and electronic structures of 1,1′-disubstituted silaoxacyclohexa-3,5-dienes have been calculated using the AMPAC and HYPERCHEM 3.0 program packages. Interatomic distances, bond angles, torsion angles, atomic charges, electron densities, bond orders, parameters of localized molecular Orbitals,etc. have been determined. Based on data obtained, it has been concluded that the -R'SiO-fragment in these molecules is a saturated structural linkage, which exhibits an inductive effect on the diene system; however, the linkage does not interact with the diene system by the mesomeric (resonance) mechanism.
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Translated fromIzvestiya Akademii Nauk. Setiya Khimicheskaya, No. 10, pp. 1917–1920, October, 1995.
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Alekseev, N.V., Krasnova, T.L. & Chernyshev, E.A. Studies of electronic structures of 1,1′-disubstituted silaoxacyclohexa-3,5-dienes. Russ Chem Bull 44, 1837–1840 (1995). https://doi.org/10.1007/BF00707206
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DOI: https://doi.org/10.1007/BF00707206