Recent work in our group focused on the use of Symmetry Adapted Perturbation Theory (SAPT) calculations to determine the intermolecular forces important in anion-arene interactions of substituted benzenes. This presentation will report on new efforts where ion-exchange chromatography has been employed to experimentally probe the anion-arene binding of aromatics. By measuring the retention time of substituted aromatics as they pass through anion-exchange columns, we have determined the relative anion-arene binding strengths. The data was used to develop a novel linear free energy relationship (LFER) model using Abraham constants, allowing for the determination of which intermolecular forces are important in the anion-arene binding of substituted aromatics. The general approach of developing LFER models using Abraham constants as a means to experimentally probe the veracity of SAPT-calculated component energies will be discussed.

Measuring relative anion-arene binding strengths of substituted aromatics via ion-exchange chromatography

247th National Meeting (2014)

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