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Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: A joint theoretical and experimental study (68 visite)

Banyasz A, Gustavsson T, Onidas D, Changenet-Barret P, Markovitsi D, Improta R

Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Mar; 19(11): 3762-3774.

Tipo di articolo: Journal Article,

Impact factor: 5.696

Impact factor a 5 anni: 5.608


Parole chiave: Charge Transfer, Dna Excited States, Excitons, Fluorescence Spectroscopy, Quantum Mechanical Calculations, Charge Transfer State, Degree Of Localization, Dft Calculation, Dominant Species, Electronic Transition, Excited State Relaxation, Exciton State, Experimental Observation, Femtoseconds, Fluorescence Anisotropy Decay, Fluorescence Behaviors, Fluorescence Decays, Model System, Quantum-Mechanical Calculation, Singlet Excited State, Spectral Domains, Spectroscopic Signatures, Sub Nanoseconds, Theoretical And Experimental, Theoretical Investigations, Time-Dependent, Time-Resolved Fluorescence Spectra, Time-Scales, Decay (organic), Density Functional Theory, Oligomers, Solutions, Ultraviolet Radiation, Adenine, Water, Article, Chemical Structure, Chemistry, Quantum Theory, Solution And Solubility, Ultraviolet Spectrophotometry, Molecular, Time Factors,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84874615685&partnerID=40&md5=c9d0673277a73d5ff01df147b40da513

The singlet excited states of adenine oligomers, model systems widely used for the understanding of the interaction of ultraviolet radiation with DNA, are investigated by fluorescence spectroscopy and time-dependent (TD) DFT calculations. Fluorescence decays, fluorescence anisotropy decays, and time-resolved fluorescence spectra are recorded from the femtosecond to the nanosecond timescales for single strand (dA)20 in aqueous solution. These experimental observations and, in particular, the comparison of the fluorescence behavior upon UVC and UVA excitation allow the identification of various types of electronic transitions with different energy and polarization. Calculations performed for up to five stacked 9-methyladenines, taking into account the solvent, show that different excited states are responsible for the absorption in the UVC and UVA spectral domains. Independently of the number of bases, bright excitons may evolve toward two types of excited dimers having π-π* or charge-transfer character, each one distinguished by its own geometry and spectroscopic signature. According to the picture arising from the joint experimental and theoretical investigation, UVC-induced fluorescence contains contribution from 1) exciton states with a different degree of localization, decaying within a few ps, 2) "neutral" excited dimers decaying on the sub-nanosecond timescale, being the dominant species, and 3) charge-transfer states decaying on the nanosecond timescale. The majority of the photons emitted upon UVA excitation are related to charge-transfer states. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
*** IBB - CNR ***

CNRS, IRAMIS, Laboratoire Francis Perrin, 91191 Gif-sur-Yvette, France

Instituto Biostrutture e Biommagini-CNR, Via Mezzocannone 16, 80134 Napoli, Italy
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12 Records (11 escludendo Abstract e Conferenze).
Impact factor totale: 63.742 (59.65 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 63.293 (58.756 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Charge Transfer" OR [btitle] "Dna Excited States" OR [btitle] "Excitons" OR [btitle] "Fluorescence Spectroscopy" OR [btitle] "Quantum Mechanical Calculations") AND NOT [id] = 10628)







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