Substituent effect on ESIPT and hydrogen bond mechanism of N-(8-Quinolyl) salicylaldimine: A detailed theoretical exploration
Sha Ding, Aixiang Xu, Aokui Sun, Yong Xia, Yuejun Liu
Topics & Concepts
Intramolecular forceSubstituentBathochromic shiftHydrogen bondPhotochemistryChemistryStokes shiftExcited stateMolecular orbitalTime-dependent density functional theoryMoleculeAbsorption spectroscopyFluorescenceComputational chemistryDensity functional theoryStereochemistryAtomic physicsOrganic chemistryQuantum mechanicsPhysicsPhotochemistry and Electron Transfer StudiesFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical Studies