Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution
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Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (90 visite)

Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R

J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.



Tipo di articolo: Journal Article,

Impact factor: 9.907, Impact factor a 5 anni: 9.766

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-83055197004&partnerID=40&md5=badce0a8bbb0ea483904de0f64c1ad3b

Parole chiave: Broad Bands, Charge Transfer State, Excited-State Decay, Excited-State Proton Transfer, Gasphase, Guanine, Guanine Cytosines, Internal Conversions, Polar Environments, Population Transfer, Time Dependent Density Functional Theory, Transient Absorption Spectroscopies, Ultra-Fast, Ultra-Fast Dynamics, Population Statistics, Positive Ions, Excited States, Chloroform, Monomer, Article, Chemical Environment, Chemical Reaction, Energy, Excited State Proton Transfer, Molecular Dynamics, Proton Transport, Base Pairing, Quantum Theory, Solutions, Spectrum Analysis,

Affiliazioni:

*** IBB - CNR ***
Department of Physical Chemistry, Heinrich-Heine University, University-str. 1, D-40225 Düsseldorf, Germany
Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, D-12489 Berlin, Germany
Istituto Biostrutture e Bioimmagini-CNR, Via Mezzocannone 16, I-80134 Napoli, Italy


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Kovalenko, S. A., Schanz, R., Henning, H., Ernsting, N. P., (2001) J. Chem. Phys., 115, p. 3256



Different derivatives of Guanine (G) and Cytosine (C), which sterically enforce the Watson-Crick (WC) conformer, have been studied in CHCl 3 by means of broad-band transient absorption spectroscopy. Our experiments rule out the involvement of an Excited State Proton Transfer (ESPT), which dominates the excited state decay of GC in the gas phase. Instead, the ultrafast dynamics via internal conversion occurs in a polar environment mainly by relaxation in the monomer moieties. Time-dependent density functional theory (TD-DFT) calculations in solution indeed indicate that population transfer from the bright excited states toward the charge transfer state is not effective in CHCl 3 and a noticeable energy barrier is associated with the ESPT reaction. ESPT is therefore not expected to be a main deactivation route for GC pairs within DNA. © 2011 American Chemical Society.
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