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Lattice Dynamical Calculations of Trans and Cis Polyacetylene |
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| Authors: | Hitoshi Ohta Minoru Kojima Keigo Nagasaka Tadahiro Ishii |
| Affiliation: | 1. Department of Physics, Faculty of Science , Kobe University , 1–1 Rokodaichyou, Nada-ku, Kobe, 657, Japan;2. Department of Physics , Kagurazaka, Shinjuku-ku, Tokyo, 162, Japan;3. Department of Physics , Kagurazaka, Shinjuku-ku, Tokyo, 162, Japan;4. Department of Applied Chemistry , Science University of Tokyo , Kagurazaka, Shinjuku-ku, Tokyo, 162, Japan |
| Abstract: | Lattice dynamical calculations of the lattice modes for both trans and cis polyacetylene were performed. Using rigid body approximation for the chain we obtained all 8 lattice frequencies and modes of motion for both trans and cis polyacetylene. The frequencies concerned with Raman active lattice modes are presented for the first time. We also performed far infrared transmission measurements of undoped trans and cis polyacetylene and confirmed the results obtained by Bechtold et al. Comparison of the lattice frequencies obtained by lattice dynamical calculations with the results obtained by far infrared measurement and inelastic neutron scattering is discussed. |
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