title: Toward the understanding of DNA fluorescence: the singlet excimer of cytosine.
abstract: 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 pi-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.
authors.affiliation: Instituto de Ciencia Molecular, Universitat de València, Apartado 22085, ES-46071 Valencia, Spain.
authors.forename: Gloria
authors.initials: G
authors.lastname: Olaso-González
authors.forename: Daniel
authors.initials: D
authors.lastname: Roca-Sanjuán
authors.forename: Luis
authors.initials: L
authors.lastname: Serrano-Andrés
authors.forename: Manuela
authors.initials: M
authors.lastname: Merchán
mesh_terms: D002627:Chemistry, Physical / Q000379:methods; D003596:Cytosine / Q000737:chemistry*; D004247:DNA / Q000737:chemistry*; D019281:Dimerization; D008027:Light; D008856:Microscopy, Fluorescence; D008956:Models, Chemical; D008958:Models, Molecular; D009841:Oligonucleotides / Q000737:chemistry; D013997:Time Factors; D014466:Ultraviolet Rays
chemical_list: D009841:Oligonucleotides; D003596:Cytosine; D004247:DNA