6533b870fe1ef96bd12cfdbe

RESEARCH PRODUCT

Chemical and photochemical properties of chloroharmine derivatives in aqueous solutions

M. Paula DenofrioFederico A. O. Rasse-surianiEzequiel WolcanM. Micaela GonzalezMarco SeifermannFranco M. CabrerizoRosa Erra-balsellsJuan G. Yañuk

subject

PHOTOCHEMICALGeneral Physics and Astronomychemistry.chemical_elementProtonationTriplet lifetime02 engineering and technology010402 general chemistryPhotochemistry01 natural sciencesOxygenFluorescence//purl.org/becyt/ford/1 [https]chemistry.chemical_compoundCHLOROHARMINE//purl.org/becyt/ford/1.4 [https]MoleculePhysical and Theoretical ChemistryAqueous solutionSINGLET OXYGENMolecular StructureChemistrySinglet oxygenPhotochemicalSinglet oxygenOtras Ciencias QuímicasTRIPLET LIFETIMECiencias QuímicasWaterHydrogen PeroxideQuímica021001 nanoscience & nanotechnologyPhotochemical Processes0104 chemical sciencesOxygenSolutionsHarmineSpectrometry FluorescenceAtomic electron transitionChloroharmineDensity functional theoryAbsorption (chemistry)0210 nano-technologyCIENCIAS NATURALES Y EXACTAS

description

Thermal and photochemical stability (ΦR), room temperature UV-vis absorption and fluorescence spectra, fluorescence quantum yields (ΦF) and lifetimes (τF), quantum yields of hydrogen peroxide (ΦH2O2) and singlet oxygen (ΦΔ) production, and triplet lifetimes (τT) have been obtained for the neutral and protonated forms of 6-chloroharmine, 8-chloroharmine and 6,8-dichloroharmine, in aqueous media. When it was possible, the effect of pH and oxygen concentration was evaluated. The nature of electronic transitions of protonated and neutral species of the three investigated chloroharmines was established using Time-Dependent Density Functional Theory (TD-DFT) calculations. The impact of all the foregoing observations on the biological role of the studied compounds is discussed.

yearjournalcountryeditionlanguage
2015-12-10
10.1039/c5cp05866jhttp://pubs.rsc.org/en/content/articlelanding/2016/cp/c5cp05866j#!divAbstract