Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
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Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (64 visite)

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

J Chem Phys (ISSN: 0021-9606, 0021-9606print), 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


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

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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
*** 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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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).

Interrogazione bibliografica effettuata: (([btitle] "Ground State" OR [btitle] "Isomerization" OR [btitle] "Methanol" OR [btitle] "Phase Equilibria" OR [btitle] "Probability Density Function") AND NOT [id] = 52597)







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