Theoretical Investigation of a New Class of Soliton-Supporting Conjugated Polymers: Polyarenemethides

Autor:	Robert J. Silbey, Jean-Luc Brédas, D. S. Boudreaux, Ronald R. Chance
Rok vydání:	1985
Předmět:	chemistry.chemical_classification Materials science Degenerate energy levels Polymer Conjugated system Polaron Polyacetylene chemistry.chemical_compound chemistry Chain (algebraic topology) Computational chemistry Chemical physics Soliton Ground state
Zdroj:	Molecular Crystals and Liquid Crystals. 118:323-326
ISSN:	0026-8941
DOI:	10.1080/00268948508076233
Popis:	Theoretical predictions for the electronic properties of a new class of organic polymers, polyarenemethides, are discussed. These polymers are designed to possess a degenerate ground state analogous to that in trans-polyacetylene. The parent polymer backbone is given by the unit cell: (-phenyl-CH=quinoid=CH-). Calculations are presented for the geometric and electronic structures of the “undimerized” and “dimerized” chains, as well as those corresponding to soliton and polaron excitations in the “dimerized” chain. Significant differences with respect to polyacetylene are found.
Databáze:	OpenAIRE
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