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