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1.
  • Greczynski, G., et al. (författare)
  • Electronic structure of pristine and sodium doped poly(p-pyridine)
  • 2001
  • Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 114:9, s. 4243-4252
  • Tidskriftsartikel (refereegranskat)abstract
    • Ultraviolet spectroscopy (UPS) and x-ray photoelectron spectroscopy (XPS) were used to study the valence electronic structures of pristine and sodium doped poly (p-pyridine) (PPY). The UPS spectra were analyzed by studying the density-of-valence-states (DOVS) derived from quantum chemical calculations. The electronic band structure of the PPY chains was also theoretically investigated using the valence effective Hamiltonian (VEH) method. The theoretical approach was found to be more accurate in describing the electronic structure of PPY.
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2.
  • Samuelsen, E.J., et al. (författare)
  • The structure of polypyridine
  • 2001
  • Ingår i: Synthetic metals. - 0379-6779 .- 1879-3290. ; 124:2-3, s. 393-398
  • Tidskriftsartikel (refereegranskat)abstract
    • X-ray diffraction on samples in the form of a deposited thin layer, a crushed powder and a flake were used to deduce models for the crystalline structure of polypyridine (-(C5H3N)n-), a conjugated polymer of great interest for applications. A monoclinic unit cell with lattice parameters a = 7.47 Å, b = 5.83 Å, c = 4.25 Å, ? = 108.7° containing two chains running along the c-axis and with the molecular plane normal to the a-axis gives a good fit with the observations. The interchain packing distance is about 3.6 Å, i.e. in the same range as intermolecular distances found in conductive charge transfer salts. The deposited layer is highly anisotropic, with the a-c-plane parallel to the substrate. © 2001 Elsevier Science B.V. All rights reserved.
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