Simulation of Time-Resolved Vibronic Spectra and the possibility of analyzing molecules with similar apectral properties

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dc.creatorAstakhov, S. A.
dc.creatorBaranov, V. I.
dc.date2002-10-05
dc.date.accessioned2026-07-07T05:48:12Z
dc.date.available2026-07-07T05:48:12Z
dc.descriptionThe possibility of using time-resolved vibronic spectroscopy for spectral analysis of mixtures of chemical compounds with similar optical properties, when traditional methods are inefficient, is demonstrated by using the method of computer simulation. The analysis is carried out by the example of molecules of a series of polyenes (butadiene, hexatraene, octatetraene, decapentaene, and decatetraene), their various cis- and trans-rotational isomers, and phenyl-substituted polyenes. Ranges of relative concentrations of molecules similar in their spectral properties, where reliable interpretation of time-resolved spectra of mixtures and both qualitative and quantitative analyses are possible, are determined. The use of computer simulation methods for oprimizing full-scale experiments in femtosecond spectroscopy is shown to hold much promise.
dc.identifierhttps://arxiv.org/abs/physics/0210021
dc.identifierhttp://arxiv.org/abs/physics/0210021
dc.identifierOptics and Spectroscopy, Vol.92, No.1, 2002, pp.20-26
dc.identifierdoi:10.1134/1.1446577
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/84939
dc.subjectChemical Physics
dc.subjectComputational Physics
dc.subjectOptics
dc.titleSimulation of Time-Resolved Vibronic Spectra and the possibility of analyzing molecules with similar apectral properties
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