芳香堆积相互作用的静电控制
Electrostatic control of aromatic stacking interactions.
作者信息
Cockroft Scott L, Hunter Christopher A, Lawson Kevin R, Perkins Julie, Urch Christopher J
机构信息
Centre for Chemical Biology, Department of Chemistry, Krebs Institute for Biomolecular Science, University of Sheffield, Sheffield S3 7HF, U.K.
出版信息
J Am Chem Soc. 2005 Jun 22;127(24):8594-5. doi: 10.1021/ja050880n.
PMID:15954755
Abstract
A supramolecular approach has been used to investigate the free energies of intermolecular aromatic stacking interactions. Chemical double mutant cycles have been used to measure the effect of a range of substituents on face-to-face stacking interactions with phenyl and pentafluorophenyl rings. Electrostatic effects dominate the trends in interaction energy.
摘要
一种超分子方法已被用于研究分子间芳香堆积相互作用的自由能。化学双突变循环已被用于测量一系列取代基对与苯环和五氟苯环面对面堆积相互作用的影响。静电效应主导了相互作用能的趋势。
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