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|Type:||Artigo de periódico|
|Title:||Poly(p-phenylene-co-2,5-pyrazine): An Am1 Investigation|
|Author:||dos Santos D.A.|
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.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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