Journalartikel

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


AutorenlisteBari, 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 Veröffentlichung2019

Seiten16505-16514

ZeitschriftPhysical Chemistry Chemical Physics

Bandnummer21

Heftnummer30

ISSN1463-9076

eISSN1463-9084

Open Access StatusHybrid

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

VerlagRoyal 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.



Zitierstile

Harvard-ZitierstilBari, 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-ZitierstilBari, 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 THEORYELECTRONIC-STRUCTUREGlycineNH3PHOTOABSORPTIONPHOTOIONIZATION

Zuletzt aktualisiert 2025-10-06 um 09:39