A combined experimental and computational study on the deactivation of a photo-excited 2,2′-pyridylbenzimidazole–water complex <i>via</i> excited-state proton transfer
Saurabh Khodia, Surajit Maity
Abstract
, which showed a reasonable agreement with the calculated excited-state proton transfer barrier. Competing reaction channels such as dissociation and tautomerization were found to be highly energetically inaccessible.
Topics & Concepts
Excited stateChemistryIntermolecular forceIonizationAtomic physicsProtonSpectroscopyGround stateIntramolecular forceMoleculeTautomerMolecular physicsIonPhysicsStereochemistryQuantum mechanicsOrganic chemistryPhotochemistry and Electron Transfer StudiesPorphyrin and Phthalocyanine ChemistryChemical Reactions and Mechanisms