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Structure and electronic properties of ladder polymers. A new class of conducting polymers
Author(s) -
Wuckel L.,
Lehmann G.
Publication year - 1990
Publication title -
makromolekulare chemie. macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 0258-0322
DOI - 10.1002/masy.19900370117
Subject(s) - conjugated system , polymer , materials science , lithium (medication) , electrochemistry , band gap , ionization energy , context (archaeology) , electronic structure , doping , electron affinity (data page) , chemical physics , computational chemistry , chemistry , ionization , molecule , organic chemistry , optoelectronics , composite material , ion , electrode , medicine , paleontology , biology , endocrinology
Theoretical calculations have been applied to design novel synthetic polymers which show metallic conductivity without doping. Some selected highly conjugated structures were calculated using a HUCKELMO method extended by introducing elastic sigma bonds. A group of highly conjugated aromatic ladder polymers is promising in this context. Another interesting group consists of laddered heteroaromatic structures in which carbon atoms are replaced by nitrogen. Ionization potentials, electron affinities, band widths, band gaps as well as oxidation and reduction potentials were calculated. Small, band gaps were obtained for polyacene, polyperinaphthalene and polypyridinopyridine. The values are in good aggreement with that obtained on the basis of the VEH method. This paper reports also some efforts to prepare polyacene, polyperinaphthalene and polypyridinopyridine, and to investigate their electronic properties. Concerning their electrochemical properties high specific capacities and good electrochemical stability has been found in aprotic lithium cells.