Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Nitrogen K-shell excitation in organic compounds. / Hallmeier, K. H.; Pavlychev, A. A.; Hennig, C.; Szargan, R.
в: Surface Investigation X-Ray, Synchrotron and Neutron Techniques, Том 13, № 4-5, 01.01.1998, стр. 533-544.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Nitrogen K-shell excitation in organic compounds
AU - Hallmeier, K. H.
AU - Pavlychev, A. A.
AU - Hennig, C.
AU - Szargan, R.
PY - 1998/1/1
Y1 - 1998/1/1
N2 - Experimental and theoretical investigations of NK absorption near edge structure (XANES) of organic compounds with different coordination, charge and bonding at the nitrogen atom, are reported. In order to explain general features of the spectra from thiourea, pyrrole, polypyrrole, tetraalkylammonium salts as well as from substituted benzalanilines, the spectral distribution of oscillator strengths for transitions from the N 1s level to excited discrete and continuum states have been calculated applying a quasiatomic model. The analysis of the theoretical and experimental spectra provides evidence of the central role of splitting of an intense N 1s-12p resonance in N K XANES formation in all compounds under study. The influence of the electronic charge transfer, bond conjugation and localization on the energies and intensities of π* and σ* resonances, are discussed in detail. Intramolecular resonance effects are shown to dominate the N XANES features of the compounds.
AB - Experimental and theoretical investigations of NK absorption near edge structure (XANES) of organic compounds with different coordination, charge and bonding at the nitrogen atom, are reported. In order to explain general features of the spectra from thiourea, pyrrole, polypyrrole, tetraalkylammonium salts as well as from substituted benzalanilines, the spectral distribution of oscillator strengths for transitions from the N 1s level to excited discrete and continuum states have been calculated applying a quasiatomic model. The analysis of the theoretical and experimental spectra provides evidence of the central role of splitting of an intense N 1s-12p resonance in N K XANES formation in all compounds under study. The influence of the electronic charge transfer, bond conjugation and localization on the energies and intensities of π* and σ* resonances, are discussed in detail. Intramolecular resonance effects are shown to dominate the N XANES features of the compounds.
UR - http://www.scopus.com/inward/record.url?scp=0031681616&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0031681616
VL - 13
SP - 533
EP - 544
JO - ПОВЕРХНОСТЬ. РЕНТГЕНОВСКИЕ, СИНХРОТРОННЫЕ И НЕЙТРОННЫЕ ИССЛЕДОВАНИЯ
JF - ПОВЕРХНОСТЬ. РЕНТГЕНОВСКИЕ, СИНХРОТРОННЫЕ И НЕЙТРОННЫЕ ИССЛЕДОВАНИЯ
SN - 1027-4510
IS - 4-5
ER -
ID: 43209229