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Journal of the Chemical Society, Faraday Transactions


Journal of the Chemical Society, Faraday Transactions; was published from 1990 - 1998.  In 1999 it merged with a number of European chemical society physical Chemistry journals to become Physical Chemistry Chemical Physics.

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Paper

J. Chem. Soc., Faraday Trans., 1995, 91, 2009 - 2015, DOI: 10.1039/FT9959102009


Influence of fluorine on aromatic interactions

Christopher A. Hunter, Xiang-Jun Lu, Gerardus M. Kapteijn and Gerard van Koten


Non-covalent interactions between aromatic ligands influence the conformations of metal complexes, and the system [M(OAr)2L2] has been used to investigate the difference between phenyl–phenyl, phenyl–pentafluorophenyl and pentafluorophenyl–pentafluorophenyl interactions. X-Ray crystal structures show that pentafluorophenyl groups adopt partially stacked orientations with the two aromatic rings close to parallel and with significant overlap. In contrast, phenyl groups are skewed away from each other with only edge-to-face contacts. Phenyl–pentafluorophenyl interactions adopt a coplanar fully stacked geometry. These results have been rationalised on the basis of energy calculations (carried out blind) using a variety of empirical models for treating weak non-covalent interactions. The major cause of the different behaviour of the three systems lies in the electrostatic interactions between the systems.