Influence of silicon atoms on the π-conjugation in electroluminescent polymers

✍ Scribed by Anna Pohl; Jean-Luc Brédas

• Publisher: John Wiley and Sons
• Year: 1997
• Tongue: English
• Weight: 140 KB
• Volume: 63
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/(sici)1097-461x(1997)63:2<437::aid-qua14>3.0.co;2-5

✦ Synopsis

By means of the valence effective Hamiltonian VEH method, we calculated the electronic Ž . Ž . structure for a polymer containing poly para-phenylene vinylene PPV and Ž . Ž . dimethoxy᎐poly para-phenylene PPP units as well as silicon atoms used as spacers. The equilibrium geometry was obtained by an AM1 calculation. We obtained a band gap of 3.2 eV, which corresponds to emittance in the blue part of the spectrum. This polymer is used as the active layer in light-emitting diodes.