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Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (109 visite)

Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F

J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.

Tipo di articolo: Abstract, Conference, Research Support, Non-U. S. Gov'T, Journal Article, , Impact factor: 3.247, Impact factor a 5 anni: 3.043, Url: Non disponibile.

Parole chiave: Ground State, Isomerization, Methanol, Phase Equilibria, Probability Density Function, Cyanines, Molecular Systems, Photoisomerization, Plesset Perturbation Theory Calculations, Molecular Dynamics, Diethyl 2, Thiacyanine, -Diethyl-2, -Thiacyanine, 5 Fluoro 2 Thiocytosine, 5-Fluoro-2-Thiocytosine, Carbocyanine, Drug Derivative, Ethylene Glycol, Anisotropy, Article, Chemical Structure, Chemistry, Computer Program, Conformation, Laser, Light, Methodology, Photochemistry, Spectrophotometry, Statistical Model, Temperature, Thermodynamics, Molecular Conformation, Software, Time Factors, Absorption, Cytosine Analogs, Derivatives Chemistry, Ethylene Glycol Chemistry, Methanol Chemistry, Photochemistry Methods, Carbocyanines Chemistry,

Affiliazioni: *** IBB - CNR ***
Physikalisches Institut, Universit t W rzburg, Am Hubland, D-97074 W rzburg, Germany
Istituto di Biostrutture e Biommagini, CNR, via Mezzocannone 6, 1-80134 Napoli, Italy
Istituto per i Processi Chimico-Fisici, CNR, CNR di Pisa, Area della Ricerca, via Moruzzi 1, 1-56124 Pisa, Italy


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http: //www. aip. org/pubservs/epaps. htmlUR - http: //www. scopus. com/inward/record. url? eid=2-s2. 0-33746848473&partnerID=40&md5=a916bb1bb9bfe19bb6a65e60dede1749



Recently, optimal control of a photoisomerization reaction in the liquid phase was demonstrated for the first time on the system 3, 3 (') -diethyl-2, 2 (') -thiacyanine (NK88). Additionally, the class of cyanines to which the molecule NK88 belongs draws a lot of attention in different recent theoretical publications. Therefore, a better understanding of the molecular dynamics of this molecular system is of special interest. Experiments using the femtosecond pump-supercontinuum probe technique with an excitation wavelength of 400 nm and a spectral range from 370 to 620 nm for the probe beam have been performed. In order to analyze the dynamics properly the time window has been chosen to comprise the characteristic times of the contributing processes, additionally we have employed two solvents, methanol and ethylene glycol, and have conducted anisotropy measurements. The spectroscopic data have been assigned to different molecular states with the help of density functional theory and second-order Moller-Plesset perturbation theory calculations. The analysis of the data has revealed in the most likely model that three different isomers exist with different lifetimes. On the basis of experimental and theoretical data, a conclusive scheme of the isomerization reaction is presented. (c) 2006 American Institute of Physics
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Nessun risultato.

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Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (130 visite)
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Impact Factor: 3.166
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Cimino P, Improta R, Bifulco G, Riccio R, Gomez-paloma L, Barone V
* Nucleophilic Cyclopropane Ring Opening in Duocarmycin SA Derivatives by Methanol under Acid Conditions: A Quantum Mechanical Study in the Gas-Phase and in Solution (119 visite)
J Org Chem (ISSN: 0022-3263), 2004; 69(8): 2816-2824.
Impact Factor: 3.462
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Veldman N, Spek AL, Tabbì G, Driessen WL, Reedijk J
A dinuclear nickel(II) compound: μ-{N, N, N′, N′-tetrakis[2-(3, 5-dimethyl-1-pyrazolyl)ethyl]-1, 2- ethylenediamine}-bis[aqua(nitrato-Ο, Ο + ′)nickel(II)] dinitrate dimethanol solvate (66 visite)
Acta Crystallogr Sect C Cryst Struct Commun (ISSN: 0108-2701), 1996; 52(11): 2698-2701.
Impact Factor: 0.459
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3 Records (2 escludendo Abstract e Conferenze).
Impact factor totale: 7.087 (3.921 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 7.97 (4.828 escludendo Abstract e Conferenze).







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