The conformational behaviour of 2-fluoro and of 2, 6-difluoroacetophenone implied by proximate spin-spin coupling constants and MO calculations

…, GH Penner, TA Wildman, J Peeling

文献索引：Schaefer, Ted; Penner, Glenn H.; Wildman, Timothy A.; Peeling, James Canadian Journal of Chemistry, 1985 , vol. 63, p. 2256 - 2260

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被引用次数: 8

摘要

The temperature dependence of, the nuclear spin-spin coupling constant over five formal bonds between the methyl protons and the 19F nucleus in 2-fluoroacetophenone and 2, 6- difluoroacetophenone, is modelled on the assumption that 5 J is a proximate coupling and that the STO 3G MO potential functions describe the population distributions of the rotamers defined by rotation about the exocyclic sp 2-sp 2 carbon-carbon bond. It is assumed that 5 ...