6533b872fe1ef96bd12d4260

RESEARCH PRODUCT

Toward the understanding of DNA fluorescence: The singlet excimer of cytosine

Gloria Olaso-gonzalezLuis Serrano-andrésManuela MerchánDaniel Roca-sanjuán

subject

Models MolecularDNA ; Molecular biophysics ; Fluorescence ; Excimers ; Perturbation theory ; Excited states ; Red shift ; BiochemistryTime FactorsLightUltraviolet RaysOligonucleotidesGeneral Physics and AstronomyPerturbation theoryExcimerBiochemistryFluorescenceCytosinechemistry.chemical_compoundSinglet statePhysical and Theoretical ChemistryPerturbation theory:FÍSICA::Química física [UNESCO]ExcimersChemistry PhysicalExcited statesDNAMolecular biophysicsFluorescenceRed shiftUNESCO::FÍSICA::Química físicaMicroscopy FluorescenceModels ChemicalchemistryExcited stateAtomic physicsLuminescenceDimerizationCytosineDNA

description

By using the multiconfigurational second-order perturbation method CASPT2, including corrections for the basis set superposition error, the lowest-singlet excited state of the face-to-face π-stacked cytosine homodimer is revealed to be bound by about half an eV, being the source of an emissive feature consistent with the observed redshifted fluorescence. Gloria.Olaso@uv.es Daniel.Roca@uv.es Luis.Serrano@uv.es Manuela.Merchan@uv.es

yearjournalcountryeditionlanguage
2006-01-01The Journal of Chemical Physics
https://doi.org/10.1063/1.2408411