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Steric hindrance in butadiene and ethylene

Name: Steric hindrance in butadiene and ethylene
Creator: A. Parczewski
Keywords: 7. Clean energy, 01 natural sciences, 0104 chemical sciences

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1970 English Publisher:Elsevier BVJournal:Tetrahedron, volume 26, pages 3,539-3,550 (issn: 0040-4020,

Authors: A. Parczewski;

doi: 10.1016/s0040-4020(01)92933-3

Steric hindrance in butadiene and ethylene

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Abstract

Abstract The structure of ethylene, trans - and cis -butadiene was determined theoretically, based on self consistent steric analysis. The calculated structures agree with the known experimental data. The energy path of the cis-trans isomerization of butadiene was calculated both for the ground state and the first excited state. The influence of the steric hindrance on the π-electronic spectrum was investigated on the basis of the β-variable SCF LCAO CI method.

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