منابع مشابه
Quantum coherent dynamics of molecules: A simple scenario for ultrafast photoisomerization
We analyze the coherent dynamics of optically excited alkenes in a fully correlated 3d tight-binding model with extended Hubbard interactions. The scenario that emerges is that the steric repulsive interactions are the driving force behind ultrafast cis-trans photoisomerizations. This resolves the apparent discrepancy between values for the torsional stiffness obtained from band-structure poten...
متن کاملStudy of Photoisomerization in Cis-Retinal as a Natural Photo Switch in Vision Using Density Functional Theory
In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were the theoretical methods applied utilizing G09 software. 6-31G+ (d,p) basis set employed for structural optimizations, and single point computations performed using B3LYP/6-31G+(d,p). The isomers cis molecule retinal...
متن کاملStudy of Photoisomerization in Cis-Retinal as a Natural Photo Switch in Vision Using Density Functional Theory
In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were the theoretical methods applied utilizing G09 software. 6-31G+ (d,p) basis set employed for structural optimizations, and single point computations performed using B3LYP/6-31G+(d,p). The isomers cis molecule retinal...
متن کاملUltrafast excited-state dynamics associated with the photoisomerization of a cyanine dye.
The ultrafast excited-state dynamics of a cyanine dye, 3,3'-bis(3-sulfopropyl)-5,5'-dimethoxy-thiacyanine triethylaminium salt, was investigated by using conventional time-resolved fluorescence up-conversion technique. The fluorescence decay can be well described as tri-exponential kinetics, which indicates the excited-state population decays through the bond-twist, vibrational and radiative re...
متن کاملUltrafast UV-induced photoisomerization of intramolecularly H-bonded symmetric β-diketones.
In photoinduced molecular reaction dynamics, the effects of electronic charge redistribution can lead to multiple pathways that are determined by the nature of the initial structures involved and the environment the molecule of interest is studied in. The β-diketones are a common example of this complexity. They show keto-enol tautomerism that is almost totally shifted toward the enolic form. H...
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ژورنال
عنوان ژورنال: Physica A: Statistical Mechanics and its Applications
سال: 2010
ISSN: 0378-4371
DOI: 10.1016/j.physa.2010.02.016