MODULATION OF THE ELECTRONIC-PROPERTIES OF CONJUGATED POLYMERS THROUGH DESIGN OF POLYMER BACKBONE

Authors
PIQUERAS MC CRESPO R TOMAS F
Citation
Mc. Piqueras et al., MODULATION OF THE ELECTRONIC-PROPERTIES OF CONJUGATED POLYMERS THROUGH DESIGN OF POLYMER BACKBONE, Journal of molecular structure. Theochem, 330, 1995, pp. 181-185
Citations number
20
Categorie Soggetti
Chemistry Physical
Journal title
Journal of molecular structure. Theochem → ACNP
ISSN journal
01661280
Volume
330
Year of publication
1995
Pages
181 - 185
Database
ISI
SICI code
0166-1280(1995)330:<181:MOTEOC>2.0.ZU;2-P
Abstract
We present the results of valence effective hamiltonian (VEH) band str ucture calculations on stereoregular block copolymers of poly(thienyle ne vinylene) and poly(pyrrylene vinylene). We have examined the evolut ion of the electronic properties as a function of the extension and di stribution of the block copolymer sequences. In both cases, the electr onic properties deviate from a linear evolution as a consequence of th e localization of both HOCO and LUCO.