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

Anna Fohl; Jean Luc Brédas

doi:10.1002/(sici)1097-461x(1997)63:2<437::aid-qua14>3.3.co;2-2

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

Anna Fohl^*, Jean Luc Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

By means of the valence effective Hamiltonian (VEH) method, we calculated the electronic structure for a polymer containing poly(pana-phenylene vinylene) (PPV)and dimethoxy-poiy(para-phenylene) (PPP) units as well as silicon atoms used as spacers. The equilibrium geometry was obtained by an AMI calculation. We obtained a band gap of 32 eV, which corresponds to emittance in the blue part of the spectrum. This polymer is used as the active layer in light-emitting diodes.

Original language	English (US)
Pages (from-to)	437-440
Number of pages	4
Journal	International Journal of Quantum Chemistry
Volume	63
Issue number	2
DOIs	https://doi.org/10.1002/(sici)1097-461x(1997)63:2<437::aid-qua14>3.3.co;2-2
State	Published - 1997
Externally published	Yes

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1002/(sici)1097-461x(1997)63:2<437::aid-qua14>3.3.co;2-2

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abstract = "By means of the valence effective Hamiltonian (VEH) method, we calculated the electronic structure for a polymer containing poly(pana-phenylene vinylene) (PPV)and dimethoxy-poiy(para-phenylene) (PPP) units as well as silicon atoms used as spacers. The equilibrium geometry was obtained by an AMI calculation. We obtained a band gap of 32 eV, which corresponds to emittance in the blue part of the spectrum. This polymer is used as the active layer in light-emitting diodes.",

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AU - Brédas, Jean Luc

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AB - By means of the valence effective Hamiltonian (VEH) method, we calculated the electronic structure for a polymer containing poly(pana-phenylene vinylene) (PPV)and dimethoxy-poiy(para-phenylene) (PPP) units as well as silicon atoms used as spacers. The equilibrium geometry was obtained by an AMI calculation. We obtained a band gap of 32 eV, which corresponds to emittance in the blue part of the spectrum. This polymer is used as the active layer in light-emitting diodes.

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

Abstract

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