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Skillfully tuning 1-hydroxy-9H-fluoren-9-one forward-backward ESIPT processes by introducing electron-withdrawing groups: A theoretical exploration

Bifa Cao, Jianhui Han, Qiao Zhou, Chaofan Sun, You Li, Bo Li, Hang Yin, Ying Shi

2020Journal of Molecular Liquids61 citationsDOI

Topics & Concepts

Polar effectIntramolecular forceMolecular orbitalChemistryMoleculeTime-dependent density functional theoryPhotochemistryDensity functional theoryComputational chemistryOrganic chemistryPhotochemistry and Electron Transfer StudiesFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical Studies
Skillfully tuning 1-hydroxy-9H-fluoren-9-one forward-backward ESIPT processes by introducing electron-withdrawing groups: A theoretical exploration | Litcius