Journal article
Authors list: 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
Publication year: 2019
Pages: 16505-16514
Journal: Physical Chemistry Chemical Physics
Volume number: 21
Issue number: 30
ISSN: 1463-9076
eISSN: 1463-9084
Open access status: Hybrid
DOI Link: https://doi.org/10.1039/c9cp02864a
Publisher: 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.
Citation Styles
Harvard Citation style: 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 Citation style: 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
Keywords
DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; Glycine; NH3; PHOTOABSORPTION; PHOTOIONIZATION