Molecular Recognition of a Transition State

Authors


  • This work was financially supported with funds obtained from the Ohio State University and the National Science Foundation under CHE-0716355. Generous computational resources were provided by the Ohio Supercomputer Center.

Abstract

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An inside job: The conformational interconversion of cyclohexane occurs at a higher rate in the interior of gated molecular baskets (see picture) than in bulk free solvent or a vacuum. The acceleration results from more favorable noncovalent bonding, and hence stabilization of the transition state, of the encapsulated compound.

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