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Change of geometry of polyacetylene upon charge transfer |
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| Authors: | Mikls Kertsz Ferenc Vonderviszt |
| Institution: | Central Research Institute for Chemistry, Hungarian of Sciences, P.O. Box 17, H-1525 Budapest, Hungary Central Research Institute for Physics, Hungarian Academy of Sciences, P.O. Box 49, H-1525 Budapest, Hungary |
| Abstract: | Crystal orbital calculations on cis- and trans-polyacethylene chains indicate two kinds of geometry changes on charge transfer. (1) increase (decrease) of the CC bond lenght and CCC bond angles in the trans conformer taking up (losing) electrons, and a tendency towards bond-length equalization on electron uptake and loss for both conformers. |
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