QUANTUM-CHEMICAL STUDY OF 4-ELEMENT-SUBSTITUTED AND 8-ELEMENT-SUBSTITUTED TETRAHYDRO-SYM-INDACENES .1. A STUDY OF 4,4,8,8-TETRAMETHYL-4,8-DISILA-3A,4,4A,8-TETRAHYDRO-SYM-INDACENE - THE STRUCTURE AND MECHANISMS OF SIGMATROPIC REARRANGEMENTSстатья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация: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 eta1-silyl derivatives of cyclopentadienes was tested on model compounds R3SiC5H5, where R is Me or H.