Tuning the free energy of host–guest encapsulation by cosolvent

Melinda Nolten; Kay T. Xia; Simone Pezzotti; Gerhard Schwaab; Robert G. Bergman; Kenneth N. Raymond; Dean Toste; Teresa Head‐Gordon; Wan‐Lu Li; Stefan Henkel

doi:10.1039/d5cp00661a

Abstract

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Experimental and theoretical study of [Ga 4 L 6 ] 12− and [In 4 L 6 ] 12− investigating guest encapsulation. Our study reveals that solvent composition, crucially affects entropy and guest binding, opening the door for tuning host–guest interactions.

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