| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5419177 | Journal of Molecular Structure: THEOCHEM | 2006 | 5 Pages |
Abstract
Two low band-gap polymers (gap energy â¼1Â eV) based on carbon-bridged dithienyl monomers have been investigated by density functional theory (B3LYP/6-31G) and semiempirical/CI methods. Theoretical absorption spectra from monomers to pentamers were obtained and showed good agreement with the experimental spectra of the polymers. Comparison with data for oligomers of CDM and BDT (dithiophene derivatives indicated that the new polymers have a small band gap and could fulfill the conditions for n-dopability.
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Authors
Jarlesson Gama Amazonas, Jeconias Rocha Guimarães, Sheila Cristina Santos Costa, Bernardo Laks, Jordan Del Nero,