Title: Hybridisation in several small ring olefins calculated by the method of maximum overlap
Abstract:The hybridisation in cyclopropene, cyclobutene, 1-methylcyclobutene, and 3-methylcyclobutene, all containing a double bond in the ring, is considered by applying the method of maximum overlap. The res...The hybridisation in cyclopropene, cyclobutene, 1-methylcyclobutene, and 3-methylcyclobutene, all containing a double bond in the ring, is considered by applying the method of maximum overlap. The results show a considerable increase in s-contribution for the hybrids forming the double bond. The participation of s-orbitals in the hybrids forming the double bond is larger in cyclobutene than in cyclopropene, an indication that the preference for s-character will be even more pronounced in strain-free systems. The calculated bond overlaps are compared with the experimental bond energies. Instead of assuming the simple proportionality when scaling an overlap, a general linear relationship E=kS–l must be used.Read More
Publication Year: 1967
Publication Date: 1967-01-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 13
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