The electronic structure of poly(pyridine-2,5-diyl) investigated by soft X-ray absorption and emission spectroscopies

Magnuson, Martin,1965-Uppsala universitet,Fysiska institutionen,Uppsala University (author)

The electronic structure of the poly-pyridine conjugated polymer has been investigated by resonant and non-resonant inelastic X-ray scattering and X-ray absorption spectroscopies using synchrotron radiation. The measurements were made for both the carbon and nitrogen contents of the polymer. The analysis of the spectra has been carried out in comparison with molecular orbital calculations taking the repeat-unit cell as a model molecule of the polymer chain. The simulations indicate no significant differences in the absorption and in the non-resonant X-ray scattering spectra for the different isomeric geometries, while some isomeric dependence of the resonant spectra is predicted. The resonant emission spectra show depletion of the electron bands in line with symmetry selection and momentum conservation rules. The effect is most visual for the carbon spectra; the nitrogen spectra are dominated by lone pair n orbital emission of symmetry and are less frequency dependent.

NATURVETENSKAP Fysik hsv//swe
NATURAL SCIENCES Physical Sciences hsv//eng
NATURAL SCIENCES
NATURVETENSKAP
STATIC-EXCHANGE CALCULATIONS; SPECTRA; MOLECULES; EXCITATION; POLY(2;2'-BIPYRIDINE-5;5'-DIYL); POLY(P-PYRIDINE); INTERFERENCE; FLUORESCENCE; SCATTERING; POLYMERS

Yang, L.Linköpings universitet,Beräkningsfysik,Tekniska högskolan,University of Stockholm (author)
Guo, J.-H.Uppsala universitet,Fysiska institutionen,Uppsala University (author)
Såthe, ConnyUppsala universitet,Fysiska institutionen,Uppsala University(Swepub:uu)connsath (author)
Agui, A.Uppsala universitet,Fysiska institutionen,Uppsala University,University of Durham (author)
Nordgren, JosephUppsala universitet,Fysiska institutionen,Uppsala University(Swepub:uu)josenord (author)
Luo, Y.University of Stockholm (author)
Ågren, H.Linköpings universitet,Beräkningsfysik,Tekniska högskolan (author)
Johansson, N.Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska högskolan (author)
Salaneck, William R.Linköpings universitet,Ytors Fysik och Kemi,Tekniska högskolan(Swepub:liu)wilsa67 (author)
Hornsburgh, L. E.University of Durham (author)
Monkman, A. P.University of Durham (author)
Uppsala universitetFysiska institutionen (creator_code:org_t)

By the author/editor: Magnuson, Martin ...; Yang, L.; Guo, J.-H.; Såthe, Conny; Agui, A.; Nordgren, Joseph; show more...; Luo, Y.; Ågren, H.; Johansson, N.; Salaneck, Willia ...; Hornsburgh, L. E ...; Monkman, A. P.; show less...

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