Investigating ESIPT and donor-acceptor substituent effects on the photophysical and electrochemical properties of fluorescent 3,5-diaryl-substituted 1-phenyl-2-pyrazolines
Gabriel C. Santos, Inaiá O. Rocha, Felipe S. Stefanello, João P. P. Copetti, Isadora Tisoco, Marcos A. P. Martins, Nilo Zanatta, Clarissa P. Frizzo, Bernardo A. Iglesias, Hélio G. Bonacorso
Topics & Concepts
ChemistrySubstituentPhotochemistryHOMO/LUMOArylDelocalized electronFluorescenceExcited stateDensity functional theoryIntramolecular forceElectrochemistryAbsorption (acoustics)Singlet stateElectron donorMolecular orbitalTime-dependent density functional theoryPolar effectPhysical chemistryComputational chemistryStereochemistryMoleculeOrganic chemistryMaterials scienceComposite materialElectrodeCatalysisNuclear physicsQuantum mechanicsAlkylPhysicsRadical Photochemical ReactionsPhotochemistry and Electron Transfer StudiesOrganic Light-Emitting Diodes Research