Electrostatic control of aromatic stacking interactions

作者： Scott L. Cockroft , Christopher A. Hunter , Kevin R. Lawson , Julie Perkins , Christopher J. Urch

关键词: Stereochemistry 、 Chemistry 、 Crystallography 、 Range (particle radiation) 、 Electrostatic interaction 、 Interaction energy 、 Free energies 、 Double mutant 、 Stacking 、 Supramolecular chemistry 、 Intermolecular force

摘要: A supramolecular approach has been used to investigate the free energies of intermolecular aromatic stacking interactions. Chemical double mutant cycles have measure effect a range substituents on face-to-face interactions with phenyl and pentafluorophenyl rings. Electrostatic effects dominate trends in interaction energy.