2014
Excited-State Intramolecular Hydrogen Transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) Characterized by Ultrafast Electronic and Vibrational Spectroscopy and Computational Modeling
Mohammed O, Xiao D, Batista V, Nibbering E. Excited-State Intramolecular Hydrogen Transfer (ESIHT) of 1,8-Dihydroxy-9,10-anthraquinone (DHAQ) Characterized by Ultrafast Electronic and Vibrational Spectroscopy and Computational Modeling. The Journal Of Physical Chemistry A 2014, 118: 3090-3099. PMID: 24684387, DOI: 10.1021/jp501612f.Peer-Reviewed Original ResearchElectronic excited statesExcited-state intramolecular hydrogen transferExcited statesElectronic excited-state dynamicsS1 electronic excited stateTriplet statePump-probe dataExcited state populationExcited-state dynamicsSinglet state decayPs time scaleVibrational energy redistributionGround state recoverySubnanosecond time scaleTime scalesVibrational spectroscopyExcited singlet states decayUltrafast electronicsFirst triplet stateUV/Population transferEquilibrium population dynamicsVibrational coolingState decayRelaxation dynamics
2011
Ultrafast Branching of Reaction Pathways in 2-(2′-Hydroxyphenyl)benzothiazole in Polar Acetonitrile Solution
Mohammed O, Luber S, Batista V, Nibbering E. Ultrafast Branching of Reaction Pathways in 2-(2′-Hydroxyphenyl)benzothiazole in Polar Acetonitrile Solution. The Journal Of Physical Chemistry A 2011, 115: 7550-7558. PMID: 21604716, DOI: 10.1021/jp202277t.Peer-Reviewed Original ResearchExcited-state intramolecular hydrogen transferKeto tautomerReaction pathwaysEnol tautomerQuantum chemical calculationsIntramolecular hydrogen transferStable enol tautomerInternal conversion pathwaysChemical calculationsAcetonitrile solutionElectronic ground stateGround state recoveryBenzothiazole unitHBT moleculesExcited enolNonpolar solventsHydrogen transferC bondIntramolecular twistingTautomersFemtosecond time scaleUltrafast branchingEnolConversion pathwaysAngle θ