Toward the understanding of DNA fluorescence: the singlet excimer of cytosine.
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.
Olaso-González
Gloria
G
Instituto de Ciencia Molecular, Universitat de València, Apartado 22085, ES-46071 Valencia, Spain.
Roca-Sanjuán
Daniel
D
Serrano-Andrés
Luis
L
Merchán
Manuela
M
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
D009841:Oligonucleotides; D003596:Cytosine; D004247:DNA