Please use this identifier to cite or link to this item:
Type: Artigo de periódico
Title: Poly(p-phenylene-co-2,5-pyrazine): An Am1 Investigation
Author: dos Santos D.A.
Galvao D.S.
Laks B.
Dezotti M.W.C.
De Paoli M.A.
Abstract: We present an AM1 study of the geometry of some oligomers of a new electrically conductive polymer: the poly(p-phenylene-co-2,5-pyrazine) (PPPz). We examine the evolution of the total energy, the ionization potential and the inter-ring bond length as a function of the torsion angle between adjacent rings. We have also investigated the geometry of charged (ions +1 and -1) oligomers of PPPz. Based on the obtained results we can explain the observed increase in the conductivity for PPPz induced by p doping and we suggest a way of increasing its value. © 1990.
Rights: fechado
Identifier DOI: 10.1016/0301-0104(90)80075-9
Date Issue: 1990
Appears in Collections:Unicamp - Artigos e Outros Documentos

Files in This Item:
File SizeFormat 
2-s2.0-45149139427.pdf345.81 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.