超共轭是全氟代正构烷烃手性起源。
Hyperconjugation Is the Source of Helicity in Perfluorinated n-Alkanes.
机构信息
Department of Organic Chemistry, University of Campinas, Campinas, SP, 13083-970, Brazil.
University of St Andews, EastChem School of Chemistry, University of St Andrews, North Haugh, St Andrews, Fife, KY16 9ST, UK.
出版信息
Angew Chem Int Ed Engl. 2017 Jun 26;56(27):7867-7870. doi: 10.1002/anie.201704112. Epub 2017 May 31.
Hyperconjugative, steric, and electrostatic effects were evaluated as possible sources of the helicity in linear perfluorinated alkanes through analysis of natural bond orbitals and classical electrostatics. Contrary to previous rationalizations, which indicate dominating steric or electrostatic effects, this analysis indicates that hyperconjugative stabilization through σ →σ* interactions are the underlying driving force for the origin of the observed helicity in perfluoroalkanes.
通过自然键轨道和经典静电分析，评估了超共轭、立体和静电效应对线性全氟烷烃螺旋性的可能影响。与之前的合理化解释相反，这些解释表明主要是立体或静电效应，本分析表明，通过σ→σ*相互作用的超共轭稳定化是全氟烷烃中观察到的螺旋性起源的潜在驱动力。
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