Journalartikel
Autorenliste: Bari, Sadia; Inhester, Ludger; Schubert, Kaja; Mertens, Karolin; Schunck, Jan O.; Doerner, Simon; Deinert, Sascha; Schwob, Lucas; Schippers, Stefan; Müller, Alfred; Klumpp, Stephan; Martins, Michael
Jahr der Veröffentlichung: 2019
Seiten: 16505-16514
Zeitschrift: Physical Chemistry Chemical Physics
Bandnummer: 21
Heftnummer: 30
ISSN: 1463-9076
eISSN: 1463-9084
Open Access Status: Hybrid
DOI Link: https://doi.org/10.1039/c9cp02864a
Verlag: Royal Society of Chemistry
Abstract:
Ion yields following X-ray absorption of the cationic series NHy+ (y = 0-3) were measured to identify the characteristic absorption resonances in the energy range of the atomic nitrogen K-edge. Significant changes in the position of the absorption resonances were observed depending on the number of hydrogen atoms bound to the central nitrogen atom. Configuration interaction (CI) calculations were performed to obtain line assignments in the frame of molecular group theory. To validate the calculations, our assignment for the atomic cation N+, measured as a reference, was compared with published theoretical and experimental data.
Autoren/Herausgeber
Zitierstile
Harvard-Zitierstil: Bari, S., Inhester, L., Schubert, K., Mertens, K., Schunck, J., Doerner, S., et al. (2019) Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3), Physical Chemistry Chemical Physics, 21(30), pp. 16505-16514. https://doi.org/10.1039/c9cp02864a
APA-Zitierstil: Bari, S., Inhester, L., Schubert, K., Mertens, K., Schunck, J., Doerner, S., Deinert, S., Schwob, L., Schippers, S., Müller, A., Klumpp, S., & Martins, M. (2019). Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3). Physical Chemistry Chemical Physics. 21(30), 16505-16514. https://doi.org/10.1039/c9cp02864a
Schlagwörter
DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; Glycine; NH3; PHOTOABSORPTION; PHOTOIONIZATION