title: Excited State Pathways Leading to Formation of Adenine Dimers.
abstract: The reaction intermediate in the path leading to UV-induced formation of adenine dimers A═A and AA* is identified for the first time quantum mechanically, using PCM/TD-DFT calculations on (dA)2 (dA: 2'deoxyadenosine). In parallel, its fingerprint is detected in the absorption spectra recorded on the millisecond time-scale for the single strand (dA)20 (dA: 2'deoxyadenosine).
authors.affiliation: LIDYL, CEA, CNRS, Université Paris-Saclay , F-91191 Gif-sur-Yvette, France.
authors.forename: Akos
authors.initials: A
authors.lastname: Banyasz
authors.affiliation: Istituto Biostrutture e Bioimmagini-Consiglio Nazionale delle Ricerche , Via Mezzocannone 16, I-80134 Napoli, Italy.
authors.forename: Lara
authors.initials: L
authors.lastname: Martinez-Fernandez
authors.affiliation: LIDYL, CEA, CNRS, Université Paris-Saclay , F-91191 Gif-sur-Yvette, France.
authors.forename: Tiia-Maaria
authors.initials: TM
authors.lastname: Ketola
authors.affiliation: LIDYL, CEA, CNRS, Université Paris-Saclay , F-91191 Gif-sur-Yvette, France.
authors.forename: Aurora
authors.initials: A
authors.lastname: Muñoz-Losa
authors.affiliation: Istituto Biostrutture e Bioimmagini-Consiglio Nazionale delle Ricerche , Via Mezzocannone 16, I-80134 Napoli, Italy.
authors.forename: Luciana
authors.initials: L
authors.lastname: Esposito
authors.affiliation: LIDYL, CEA, CNRS, Université Paris-Saclay , F-91191 Gif-sur-Yvette, France.
authors.forename: Dimitra
authors.initials: D
authors.lastname: Markovitsi
authors.affiliation: Istituto Biostrutture e Bioimmagini-Consiglio Nazionale delle Ricerche , Via Mezzocannone 16, I-80134 Napoli, Italy.
authors.forename: Roberto
authors.initials: R
authors.lastname: Improta
mesh_terms: D000225:Adenine / Q000737:chemistry*; D019281:Dimerization; D011789:Quantum Theory; D014466:Ultraviolet Rays
chemical_list: D000225:Adenine