Designing emissive conjugated polymers with small optical gaps: a step towards organic polymeric infrared lasers

Abstract

We show that chemical modification of the trans-polyacetylene structure that involves substitution of the backbone hydrogen atoms with conjugated side groups, leads to reduction of the backbone bond alternation as well as screening of the effective Coulomb interaction. Consequently the optical gap of the substituted material is smaller than the parent polyene with the same backbone length, and the excited state ordering is conducive to efficient photoluminescence. The design of organic polymeric infrared lasers, in the ideal long chain limit, thereby becomes possible.

5 pages, RevTex, to appear in Phys. Rev. Letters

References in corpus (1)

• Quantum confinement effects on the ordering of the lowest-lying excited states in conjugated chains

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• Prediction of infrared light emission from pi-conjugated polymers: a diagrammatic exciton basis valence bond theory
• Energetics and electronic structure of phenyl-disubstituted polyacetylene: A first-principles study
• Density matrix renormalization group study of conjugated polymers with transverse pi-conjugation