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Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations (81 visite)

Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA

J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.

Tipo di articolo: Journal Article,

Impact factor: 8.58

Impact factor a 5 anni: 8.805


Parole chiave: Aqueous Solutions, Biexponential, Biexponential Decay, Broad Bands, Bulk Solvents, Conical Intersection, Femtoseconds, Fluorescence Lifetimes, Guanine Rings, Guanosines, Internal Conversions, Monophosphates, Out-Of-Plane Displacement, Ph Range, Photo-Induced, Photoinduced Dynamics, Protonated, Quantum-Chemical Calculation, Quantum-Mechanical Calculation, Specific Solvation, State-To-State Relaxation, Time-Dependent, Transient Absorption Spectroscopies, Ultra-Fast, Ultrafast Decay, Various Ph, Biomolecules, Excited States, Ground State, Ph Effects, Quantum Chemistry, Water Absorption, Guanosine Phosphate, Article, Light, Proton Transport,

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-69949158122&partnerID=40&md5=dee8189784a4b05a511f694c031baf0e

Guanosine monophosphate (GMP) in aqueous solutions has been studied with femtosecond broad-band transient absorption spectroscopy and by quantum-mechanical calculations. The sample was excited at 267 or 287 nm and probed between 270 and 1000 nm with 100 fs resolution, for various pH values between 2 and 7. At pH 2, when the guanine ring is ground-state protonated (GMPH +), we observe isosbestic behavior indicating state-to-state relaxation. The relaxation is biexponential, τ 1 = 0.4 ps, τ 2 = 2.2 ps, and followed by slower internal conversion with τ 3 = 167 ps. For nonprotonated GMP in the pH range 7-4, we find biexponential decay in the region 400-900 nm (τ 1 = 0.22 ps, τ 2 = 0.9 ps), whereas, between 270 and 400 nm, the behavior is triexponential with one growing, τ 1 = 0.25 ps, and two decaying, τ 2 = 1.0 ps, τ 3 = 2.5 ps, components. The excited-state evolution is interpreted with the help of quantumchemical calculations, performed at the time-dependent PBE0 level accounting for bulk solvent effects and specific solvation. The computed dynamics involves L a and L b bright excited states, whereas the n 0π and π σ dark excited states play a minor role. Independent of the pH, the photoinduced evolution involves ultrafast L b→ L a conversion (τ ba « 100 fs) and exhibits the presence of a wide planar plateau on L a. For neutral GMP a barrierless path connects this region to a conical intersection (CI) with the ground state, giving an account of the ultrafast decay of this species. For protonated GMPH + the system evolves into a stable minimum L a min characterized by out-of-plane displacement of NH and CH groups, which explains the longer (167 ps) fluorescence lifetime. © 2009 American Chemical Society.
*** IBB - CNR ***

Department of Chemistry, Humboldt University, Brook-Taylor Street-2, D-12489 Berlin, Germany

Department of Physical Chemistry, Heinrich-Heine-University, University Street-1, D-40225 Düsseldorf, Germany

Dipartimento di Chimica, Università Federico II, Complesso Universitario Monte S. Angelo Via Cintia, I-80126 Napoli, Italy

Istituto Biostrutture e Bioimmagini, CNR, Via Mezzocannone 16, I-80134 Napoli, Italy
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Shukla, M. K., Leszczvnski, J., (2008) J. Phys. Chem. B, 112, pp. 5139-5152

ern, J., Spirko, V., Mons, M., Hobza, P., Nachtigallov, D., (2006) Phys. Chem. Chem. Phys, 8, pp. 3059-3065

Kovalenko, S. A., Dobryakov, A. L., Ruthmann, J., Ernsting, N. P., (1999) Phys. Rev. A, 59, pp. 2369-2381

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Kovalenko, S. A., Lustres, J. L. P., Ernsting, N. P., Rettig, W., (2003) J. Phys. Chem. A, 107, pp. 10228-10232

P rez-Lustres., J. L., Rodriguez-Prieto, F., Mosquera, M., Senvushkina, T. A., Ernsting, N., Kovalenko, S. A., (2007) J. Am. Chem. Soc, 129, p. 5408

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Frisch, M. J., Gaussian03 Development Version, , revision F. 02

Birks, J. B., Photophysics of aromatic molecules, , Wiley-Interscience: 1970

B rresen, H. C., (1963) Acta Chem. Scand, 17, p. 92

Hunt, P. A., Robb, M. A., (2005) J. Am. Chem. Soc, 127, pp. 5720-5726

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* Sterochemistry And Thermodynamics Of The Inclusion Of Aliphatic And Aromatic Anionic Guests In A Tetracationic Calix [4] Arene In Acidic And Neutral Aqueous Solutions (65 visite)
Sgarlata C, Bonaccorso C, Gulino FG, Zito V, Arena G, Sciotto D
New Journal Of Chemistry, 2009; 33: 991-991.
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1 Records (0 escludendo Abstract e Conferenze).
Impact factor totale: 3.159 (0 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 2.837 (0 escludendo Abstract e Conferenze).

Interrogazione bibliografica effettuata: (([btitle] "Aqueous Solutions" OR [btitle] "Biexponential" OR [btitle] "Biexponential Decay" OR [btitle] "Broad Bands" OR [btitle] "Bulk Solvents") AND NOT [id] = 9063)







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