Insights from computational analysis: Excited-state hydrogen-bonding interactions and ESIPT processes in phenothiazine derivatives
Guijie Zhao, Wei Shi, Xin Xin, Yunfan Yang, Fengcai Ma, Yongqing Li
Topics & Concepts
PhenothiazineDensity functional theoryIntramolecular forceExcited stateAlkylMolecular orbitalHydrogen bondChemistryPhotochemistryMoleculeFluorescenceTime-dependent density functional theoryGround stateComputational chemistryChemical physicsStereochemistryAtomic physicsOrganic chemistryPhysicsPharmacologyMedicineQuantum mechanicsPhotochemistry and Electron Transfer StudiesLuminescence and Fluorescent MaterialsPhenothiazines and Benzothiazines Synthesis and Activities