Impact of benzannulation on ESIPT in 2-(2′-hydroxyphenyl)-oxazoles: a unified perspective in terms of excited-state aromaticity and intramolecular charge transfer
Leandro D. Mena, D. Mariano A. Vera, María T. Baumgartner
Abstract
state. The theoretical approach presented herein allows the behaviour of hydroxyphenyl-oxazoles in the excited state to be rationalized and, more generally, a deeper understanding of the factors governing the ESIPT process to be obtained, a crucial point in the design of new and efficient fluorophores.
Topics & Concepts
OxazoleIntramolecular forceExcited stateChemistryPhotochemistryCharge (physics)Singlet stateAromaticityMoleculeComputational chemistryStereochemistryAtomic physicsOrganic chemistryPhysicsQuantum mechanicsPhotochemistry and Electron Transfer StudiesRadical Photochemical ReactionsPorphyrin and Phthalocyanine Chemistry