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The strength of CH-aryl interactions (Δ G ) in 14 solvents was determined via the conformational analysis of a molecular torsion balance. The molecular balance adopted folded and unfolded conformers in which the ratio of the conformers in solution provided a quantitative measure of Δ G as a function of solvation. While a single empirical solvent parameter based on solvent polarity failed to explain solvent effect in the molecular balance, it is shown that these Δ G values can be correlated through a multiparameter linear solvation energy relationship (LSER) using the equation introduced by Kamlet and Taft. The resulting LSER equation [Δ G = -0.24 + 0.23 α - 0.68 β - 0.1 π * + 0.09 δ ]-expresses Δ G as a function of Kamlet-Taft solvent parameters-revealed that specific solvent effects ( α and β ) are mainly responsible for "tipping" the molecular balance in favour of one conformer over the other, where α represents a solvents' hydrogen-bond acidity and β represents a solvents' hydrogen-bond basicity. Furthermore, using extrapolated data ( α and β ) and the known π * value for the gas phase, the LSER equation predicted Δ G in the gas phase to be -0.31 kcal mol -1 , which agrees with -0.35 kcal mol -1 estimated from DFT-D calculations.

Quantitative model for rationalizing solvent effect in noncovalent CH–Aryl interactions