Electronic structure of polyisothianaphthene

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Abstract
We investigate the electronic structure of polyisothianaphthene, comparing the experimental data obtained by x-ray photoelectron spectroscopy (XPS) with the results of valence effective Hamiltonian calculations. In the neutral form, the theoretical density of valence states is in very good agreement with the experimental measurements. The shifts observed for the core and valence levels upon doping confirm the very low value of the band gap in this system. Several models explaining the evolution of the line shapes in the oxidized polymer are discussed.