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Nitrogen K-shell excitation in organic compounds. / Hallmeier, K. H.; Pavlychev, A. A.; Hennig, C.; Szargan, R.

In: Surface Investigation X-Ray, Synchrotron and Neutron Techniques, Vol. 13, No. 4-5, 01.01.1998, p. 533-544.

Research output: Contribution to journal › Article › peer-review

Harvard

Hallmeier, KH, Pavlychev, AA, Hennig, C & Szargan, R 1998, 'Nitrogen K-shell excitation in organic compounds', Surface Investigation X-Ray, Synchrotron and Neutron Techniques, vol. 13, no. 4-5, pp. 533-544.

APA

Hallmeier, K. H., Pavlychev, A. A., Hennig, C., & Szargan, R. (1998). Nitrogen K-shell excitation in organic compounds. Surface Investigation X-Ray, Synchrotron and Neutron Techniques, 13(4-5), 533-544.

Vancouver

Hallmeier KH, Pavlychev AA, Hennig C, Szargan R. Nitrogen K-shell excitation in organic compounds. Surface Investigation X-Ray, Synchrotron and Neutron Techniques. 1998 Jan 1;13(4-5):533-544.

Author

Hallmeier, K. H. ; Pavlychev, A. A. ; Hennig, C. ; Szargan, R. / Nitrogen K-shell excitation in organic compounds. In: Surface Investigation X-Ray, Synchrotron and Neutron Techniques. 1998 ; Vol. 13, No. 4-5. pp. 533-544.

BibTeX

@article{d268150173f84c0ba749e906f4584ce4,
title = "Nitrogen K-shell excitation in organic compounds",
abstract = "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.",
author = "Hallmeier, {K. H.} and Pavlychev, {A. A.} and C. Hennig and R. Szargan",
year = "1998",
month = jan,
day = "1",
language = "English",
volume = "13",
pages = "533--544",
journal = "ПОВЕРХНОСТЬ. РЕНТГЕНОВСКИЕ, СИНХРОТРОННЫЕ И НЕЙТРОННЫЕ ИССЛЕДОВАНИЯ",
issn = "1027-4510",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "4-5",

}

RIS

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