Unveiling the influence of atomic electronegativity on the double ESIPT processes of uralenol: A theoretical study

Changjiao Shang, Yunjian Cao, Chaofan Sun, Yuanzuo Li

2021Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy22 citationsDOI

Topics & Concepts

ElectronegativityNatural bond orbitalIntramolecular forceDensity functional theoryChemistryMolecular orbitalHydrogen bondProtonComputational chemistryMoleculeStereochemistryQuantum mechanicsOrganic chemistryPhysicsPhotochemistry and Electron Transfer StudiesPorphyrin and Phthalocyanine ChemistryFree Radicals and Antioxidants