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

Phys Chem Chem Phys. 2019 Aug 14;21(30):16505-16514. doi: 10.1039/c9cp02864a. Epub 2019 Jul 22.

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.