Abstract

Energies, geometries, and electronic structures of structural isomers of 4,4,8,8-tetramethyl-4,8-disila-3a,4,4a,8-tetrahydro-sym-indacene as well as some transition states for the intramolecular metallotropic rearrangements of these compounds were calculated using the semiempirical quantum-chemical INDO and MNDO methods. The applicability of the MINDO/3, INDO, and MNDO methods for describing ηl-silyl derivatives of cyclopentadienes was tested on model compounds R3SiC5H5, where R is Me or H.

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