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Band structure of nonclassical polymers |
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| Authors: | Nikolai Tyutyulkov Peter Schuster Oskar Polansky |
| Affiliation: | (1) Institute of Organic Chemistry, Academy of Sciences, 1113 Sofia, Bulgaria;(2) Institut für theoretische Chemie der Universität, A-1090 Wien, Austria;(3) Max-Planck Institut für Strahlenchemie, D-4330 Mülheim a.d.Ruhr, Federal Republic of Germany |
| Abstract: | It is shown that fully conjugated alternant nonclassical polymers are comparatively stable systems as a result of the considerable delocalisation energy.The energy characteristics of the polymers are strongly determined by the electron spin distribution of the degenerate nonbonding molecular orbitals; the full spin configuration,S>0, is favoured. The spin densities depend on the electron correlation and alternate; this corresponds to a ferrimagnetic state of the polymer at 0°K. |
| Keywords: | Nonclassical polymers Band structure of |
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