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Band structure of even and ions of odd polyenes
Authors:Nikolay Tyutyulkov  Ivo Kanev  Oskar Polansky  Jürgen Fabian
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
Abstract:
The analysis of experimental data for singlet transitions (DeltaEn) of even polyenes (I), cations (II) and anions (III) of odd polyenes show that for infinite chains DeltaEinfin(I)/DeltaEinfin(II)=DeltaEinfin(I)/DeltaEinfin(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.
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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