Supramolecular cage encapsulation as a versatile tool for the experimental quantification of aromatic stacking interactions.

ABSTRACT: The widespread presence of aromatic stacking interactions in chemical and biological systems, combined with their relatively small energetic contribution, have led to a plethora of theoretical and experimental studies for their quantification and rationalization. Typically, π-π aromatic interactions are studied as a function of substituents to gather information about the interaction mechanism. While experiments suggest that aromatic interactions are dominated by local electrostatic contacts between π-electron density and CH groups, theoretical work has raised the possibility that direct electrostatic interactions between local dipoles of the substituents may play a role. We describe a supramolecular cage that binds two aromatic carboxylates in a stacked geometry such that the aromatic sub

SUBMITTER: Bravin C 

PROVIDER: S-EPMC6354842 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature