Electronic properties of polyquinolines and poly(2,6-naphthylene)

We present a Valence Effective Hamiltonian (VEH) study of the electronic properties of polyquinoline, poly(4-phenylquinoline), and poly(2,6-naphthylene). Parameters important with redard to the conductivity properties upon doping, such as ionization potentials, bandwidths, and bandgaps, are obtained from the band structures of the title compounds. Results indicate that these polymers have : (i) large ionization potentials (so that fairly strong acceptors are required for effective p-type doping); (ii) large electron affinities (as a result, n-type doping is feasible); and (iii) quite small bandwidths. This is consistent with the relatively low conductivities reported so far for the doped polymers.