Photophysics of intramolecularly hydrogen-bonded aromatic systems: Ab initio exploration of the excited-state deactivation mechanisms of salicylic acid

Keyphrases

• Aromatic Systems 100%
• Salicylic Acid 100%
• Photophysics 100%
• Carboxy Group 100%
• Conical Intersection 100%
• Excited State Deactivation 100%
• Deactivation 100%
• Rotamers 66%
• Reaction Pathway 66%
• Torsion 66%
• Pyramidization 66%
• Local Minima 33%
• Intramolecular Hydrogen Bond 33%
• Bicyclol 33%
• Keto 33%
• Optical Coherence Tomography Angiography (OCT-A) 33%
• Low Barrier 33%
• 8-diol 33%
• Transient Intermediates 33%
• Barrier-free 33%
• CASPT2 33%
• Low-lying 33%
• CC2 Calculations 33%
• Complete Active Space Self-consistent Field (CASSCF) 33%
• Hydrogen Transfer 33%
• Biradical 33%
• Potential Energy Surface 33%
• Second-order Perturbation Theory 33%
• Energy Profile 33%
• Excited-state Reaction Paths 33%
• Energy Surface 33%
• Barrierless Reactions 33%
• Photochemical Reaction 33%
• Reaction Coordinate 33%
• Intramolecular Hydrogen Transfer 33%
• Single Point Energy Calculation 33%
• Potential Energy Hypersurfaces 33%
• Trienes 33%
• Coupled Cluster Theory 33%

Chemistry

• Reaction Path 100%
• Excited State 100%
• Photophysics 100%
• Carboxy Group 100%
• Hydrogen 100%
• Salicylic Acid 100%
• Rotamer 66%
• Hydrogen Transfer 66%
• Hydrogen Bonding 33%
• k·p perturbation theory 33%
• CASSCF Calculation 33%
• Potential Energy Surface 33%
• Potential Energy Hypersurface 33%
• Coupled Cluster Singles and Doubles Theory 33%
• Photochemical Reaction 33%
• Perturbation Theory 33%
• Diol 33%