Band structure of even and ions of odd polyenes |
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Authors: | Nikolay Tyutyulkov Ivo Kanev Oskar Polansky Jürgen Fabian |
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Affiliation: | (1) Institute of Organic Chemistry, Academy of Sciences, 1113 Sofia, Bulgaria;(2) Institut für Strahlenchemie im Max-Planck-Institut für Kohlenforschung, D-4330 Mülheim a.d. Ruhr, Germany;(3) Sektion Chemie, Technische Universität, DDR-8027 Dresden |
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Abstract: | ![]() The analysis of experimental data for singlet transitions ( En) of even polyenes (I), cations (II) and anions (III) of odd polyenes show that for infinite chains E (I)/ E (II)= E (I)/ E (III) = 2:1. It is shown that the energy gap is equal for the three systems. In cases (II) and (III) there is a level (NBMO) in the gap which is vacant in (II) and occupied in (III). That is why the first optical transition in (II) and (III) depends on the semiwidth of the gap. |
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Keywords: | Polyenes, even, band structure of /content/gkk0115216147780/xxlarge8764.gif" alt=" sim" align=" MIDDLE" BORDER=" 0" > Polyenes, ions of odd, band structure of /content/gkk0115216147780/xxlarge8764.gif" alt=" sim" align=" MIDDLE" BORDER=" 0" > |
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