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- W2565047741 abstract "Polyacetylene (PA) is a widely used conjugated polymer and a convenient model system allowing for calculation of its physical characteristics [i, 2]. Pure PA is a dielectric, but its conductivity sharply increases upon chemical and electrochemical doping and can reach values characteristic of metallic conductivity. The conduction mechanism for doped PA has been discussed in terms of three basic models: the soliton model [i, 2], the hopping model [3], and the model based on tunneling of electrons between regions with metallic conductivity [4]. To some degree, all three models use ideas about the intrinsic and extrinsic (impurity) defect structure of PA. This paper is devoted to consideration of some basic microdefects of the trans-PA chain, i.e., the first level in the hierarchy of defects in the structure of the material [5]. A distinguishing feature of trans-PA is the degeneracy of the ground state for its chain. This allows us to very simply and systematically use the topological approach, in particular the theory of dislocations and disclinations in an elastic continuum [6-8]. The structures of ideal chains, and also the basic defects in chains (the cis segment C, the anticis segment C, the soliton S, the antisoliton S) are presented in Fig. i. Note that the indicated defects divide the macromolecule into two mirror-symmetric parts R and L with identical energies. The point dislocations D (a shift of part of the macromolecule with subsequent incorporation of a fragment with one carbon atom [9]) do not lead to a change in the chain symmetry, but they are connected with electronic excitation since they have an unpaired electron. In the continuum approximation, the defects CL and CR are internal disclination loops having two components: a wedge loop of ~ of strength ~/3 and a twist loop ~ of strength z. We emphasize that the Frank vectors of the indicated disclination loops are applied to the center of the single and double carbon-carbon bonds respectively for CL and CR. For GL and CR, the wedge disclination loops have strength -~/3; therefore for brevity we will use the prefix anti in this case. The twist disclination loops for these defects have stength ~. A soliton is a defect of a more complicated topological nature. In an ideal chain, it is obtained by combination of a point dislocation D (and therefore the electronic excitation connected with it) with Burgers vector modulus }~a/2 ( a is the length of the carbon-carbon bond) and an external twist dislocation loop of strength ~, the rotation vector of which is" @default.
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- W2565047741 date "1989-01-01" @default.
- W2565047741 modified "2023-09-26" @default.
- W2565047741 title "Using a topological approach, we consider the nature of intrinsic structural de- fects in a real trans-polyacetyl ene chain. We show that remnant cis segments are internaldisclina tion loops having two components: a wedge loop of strengthand a twist loop of strength ~, while defects of the soliton type are a combination of a point dislocation and an external twist disclination loop of strength z." @default.
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