Effect of number and different types of proton donors on excited-state intramolecular single and double proton transfer in bipyridine derivatives: theoretical insights
Komsun Chaihan, Nawee Kungwan
Abstract
Intra-HBs are strengthened upon photoexcitation, confirmed by red-shift in vibrational mode and topology analysis. Number and type of donors result in difference in photophysical properties. Occurrence of ESIPT depends on barrier and reaction energy.
Topics & Concepts
ChemistryPhotoexcitationIntramolecular forceProtonExcited statePhotochemistryComputational chemistryStereochemistryAtomic physicsQuantum mechanicsPhysicsPhotochemistry and Electron Transfer StudiesSpectroscopy and Quantum Chemical StudiesPorphyrin and Phthalocyanine Chemistry