Bari Sadia, Inhester Ludger, Schubert Kaja, Mertens Karolin, Schunck Jan O, Dörner Simon, Deinert Sascha, Schwob Lucas, Schippers Stefan, Müller Alfred, Klumpp Stephan, Martins Michael
Deutsches Elektronen-Synchrotron (DESY), Notkestr. 85, 22607 Hamburg, Germany.
Center for Free-Electron Laser Science (CFEL), DESY, Notkestr. 85, 22607 Hamburg, Germany and The Hamburg Centre for Ultrafast Imaging (CUI), Luruper Chaussee 149, 22761 Hamburg, Germany.
Phys Chem Chem Phys. 2019 Aug 14;21(30):16505-16514. doi: 10.1039/c9cp02864a. Epub 2019 Jul 22.
Ion yields following X-ray absorption of the cationic series NH (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.
测量了阳离子系列NH（y = 0 - 3）在X射线吸收后的离子产率，以确定原子氮K边能量范围内的特征吸收共振。观察到吸收共振位置随与中心氮原子结合的氢原子数量的变化而发生显著变化。进行了组态相互作用（CI）计算，以在分子群论框架内获得谱线归属。为了验证计算结果，将作为参考测量的原子阳离子N的归属与已发表的理论和实验数据进行了比较。
