Energetics and Dynamics of the Low-Lying Electronic States of Constrained Polyenes: Implications for Infinite Polyenes

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60076658%3A12310%2F13%3A43885279" target="_blank" >RIV/60076658:12310/13:43885279 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jp310592s" target="_blank" >http://dx.doi.org/10.1021/jp310592s</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jp310592s" target="_blank" >10.1021/jp310592s</a>

Result language
angličtina
Original language name
Energetics and Dynamics of the Low-Lying Electronic States of Constrained Polyenes: Implications for Infinite Polyenes
Original language description
Steady-state and ultrafast transient absorption spectra were obtained for a series of conformationally constrained, isomerically pure polyenes with 5-23 conjugated double bonds (N). These data and fluorescence spectra of the shorter polyenes reveal the Ndependence of the energies of six B-1(u)+ and two (1)A(g)(-) excited states. The B-1(u)+ states converge to a common infinite polyene limit of 15 900 +/- 100 cm(-1). The two excited (1)A(g)(-) states, however, exhibit a large (similar to 9000 cm-1) energy difference in the infinite polyene limit, in contrast to the common value previously predicted by theory. EOM-CCSD ab initio and MNDO-PSDCI semiempirical MO theories account for the experimental transition energies and intensities. The complex, multistep dynamics of the 1(1)B(u)(+) -} 2(1)A(g)(-) -} 1(1)A(g)(-) excited state decay pathways as a function of N are compared with kinetic data from several natural and synthetic carotenoids. Distinctive transient absorption signals in the v
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BO - Biophysics
OECD FORD branch
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Project
<a href="/en/project/ME09037" target="_blank" >ME09037: Excited-state processes in carbonyl-containing carotenoids and their roles in light-driven reactions in Nature</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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