Requirements for Terpene Cyclizations inside the Supramolecular Resorcinarene Capsule: Bound Water and Its Protonation Determine the Catalytic Activity
Severin Merget, Lorenzo Catti, GiovanniMaria Piccini, Konrad Tiefenbacher
Abstract
to activate the encapsulated substrate. These findings are also supported by molecular dynamics simulations, providing further insight into the protonation pathway and the relative energies of the intermediates involved.
Topics & Concepts
ChemistryResorcinareneSupramolecular chemistryProtonationCatalysisSupramolecular catalysisRandom hexamerResorcinolSubstrate (aquarium)Hydrogen bondSupramolecular assemblyPyrogallolCombinatorial chemistryStereochemistryOrganic chemistryMoleculeIonCrystallographyGeologyOceanographyPorphyrin and Phthalocyanine ChemistrySupramolecular Chemistry and ComplexesMolecular spectroscopy and chirality