The infrared spectrum of a non conjugated conducting polymer

✍ Scribed by Giorgio Orlandi; Francesco Zerbetto

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 576 KB
• Volume: 187
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(91)90451-e

✦ Synopsis

MNDO calculations are presented on the dimer of butadiene and the derivatives that are conceivably obtained upon its doping with iodine, namely, its polaron (radical cation), its iodonium ion (x complex), and its iodiocation (o complex). The calculations are aimed at gaining some understanding of nonconjugated conductive polymers of which polybutadiene is a prototype. First a justification of the adopted procedure is given; then, the infrared spectra of the pristine and the doped polymer are exammed in view of the results obtained for the dimer. Evidence is found in the spectra of both the polaron and the I[ complex. The charge flow in all systems is evaluated and all of the dimer derivatives are found to have a charge flow larger than the parent species, with the largest one due to the polaron. On the basis of the results, it is argued that the temperature dependence of the electron transport in the two species found in the spectra (x complex and polaron) could be different.