Journal article

Inner-shell X-ray absorption spectra of the cationic series NHy+ (y = 0–3)


Authors listBari, 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 year2019

Pages16505-16514

JournalPhysical Chemistry Chemical Physics

Volume number21

Issue number30

ISSN1463-9076

eISSN1463-9084

Open access statusHybrid

DOI Linkhttps://doi.org/10.1039/c9cp02864a

PublisherRoyal 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 styleBari, 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 styleBari, 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 THEORYELECTRONIC-STRUCTUREGlycineNH3PHOTOABSORPTIONPHOTOIONIZATION

Last updated on 2025-10-06 at 09:39