QUANTUM-CHEMICAL STUDY OF 4-ELEMENT-SUBSTITUTED AND 8-ELEMENT-SUBSTITUTED TETRAHYDRO-SYM-INDACENES .1. A STUDY OF ETHYL-4,8-DISILA-3A,4,4A,8-TETRAHYDRO-SYM-INDACENE - THE STRUCTURE AND MECHANISMS OF SIGMATROPIC REARRANGEMENTS

Authors
GLINSKAYA NP GLORIOZOV IP NIFANTEV IE USTYNYUK YA
Citation
Np. Glinskaya et al., QUANTUM-CHEMICAL STUDY OF 4-ELEMENT-SUBSTITUTED AND 8-ELEMENT-SUBSTITUTED TETRAHYDRO-SYM-INDACENES .1. A STUDY OF ETHYL-4,8-DISILA-3A,4,4A,8-TETRAHYDRO-SYM-INDACENE - THE STRUCTURE AND MECHANISMS OF SIGMATROPIC REARRANGEMENTS, Russian chemical bulletin, 42(5), 1993, pp. 810-817
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
42
Issue
5
Year of publication
1993
Pages
810 - 817
Database
ISI
SICI code
1066-5285(1993)42:5<810:QSO4A8>2.0.ZU;2-Y
Abstract
Energies, geometries, and electronic structures of structural isomers of ethyl-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-che mical INDO and MNDO methods. The applicability of the MINDO/3, INDO, a nd MNDO methods for describing eta1-silyl derivatives of cyclopentadie nes was tested on model compounds R3SiC5H5, where R is Me or H.