Abstract
Localized vibrations and optical and acoustic phonons are calculated for finite length C nD n+2 containing a charged soliton. The molecular orbital method and normal coordinate analysis have been used in this calculation. The localized translational mode couples with the CH bending mode when the chain length is short (n ≈17). The coupling explains well the two broad peaks in the i.r. spectrum. It is also found that dopant pinning has effects similar to chain shortening; i.e. raising the frequency of the T mode and causing coupling of the T and TH modes. Approximate phonon dispersions are calculated for finite trans-polyacetylene with a charged soliton. Branch modes of the previously known localized modes are discussed in connection with the corresponding optical phonons.
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