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

Sadia Bari; Ludger Inhester; Kaja Schubert; Karolin Mertens; Jan O. Schunck; Simon Dörner; Sascha Deinert; Lucas Schwob; Stefan Schippers; Alfred Müller; Stephan Klumpp; Michael Martins

doi:10.1039/C9CP02864A

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

Sadia Bari,†*^a Ludger Inhester,

†^bc Kaja Schubert,^ad Karolin Mertens,

^d Jan O. Schunck,

^ad Simon Dörner,^a Sascha Deinert,^a Lucas Schwob,^a Stefan Schippers,

^e Alfred Müller,

^f Stephan Klumpp

^a and Michael Martins

^d

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* Corresponding authors

^a Deutsches Elektronen-Synchrotron (DESY), Notkestr. 85, 22607 Hamburg, Germany
E-mail: sadia.bari@desy.de
Fax: +49 040 8998 4475
Tel: +49 040 8998 5093

^b Center for Free-Electron Laser Science (CFEL), DESY, Notkestr. 85, 22607 Hamburg, Germany

^c The Hamburg Centre for Ultrafast Imaging (CUI), Luruper Chaussee 149, 22761 Hamburg, Germany

^d Department Physik, Universität Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany
E-mail: michael.martins@desy.de

^e Justus-Liebig-Universität Gießen, I. Physikalisches Institut, Heinrich-Buff-Ring 16, 35392 Gießen, Germany

^f Justus-Liebig-Universität Gießen, Institut für Atom- und Molekülphysik, 35392 Gießen, Germany

Abstract

Ion yields following X-ray absorption of the cationic series NH_y⁺ (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.

This article is part of the themed collection: 2019 PCCP HOT Articles

Physical Chemistry Chemical Physics

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

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

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