Abstract
Wilcox torsion balances with well-defined “folded” and “unfolded” configurations provide a facile experimental probe of noncovalent interactions in solution. Recent modifications to the torsion balance bridgehead (Bhayana and Ams in J Org Chem 76:3594, 2011) provide new insights into the distance dependence of noncovalent interactions. We explore these systems using dispersion-corrected density functional theory calculations and continuum model solvents. The results quantify the role of bridgehead flexibility and point to the importance of folding entropy and noncovalent interactions in the unfolded configuration.
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