4.6 Article

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

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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 21, 期 30, 页码 16505-16514

出版社

ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cp02864a

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资金

  1. German ministry for education and research (BMBF) within the Verbundforschung'' funding scheme [05KS7RG1, 05KS7GU2, 05KS7KE1, 05KS7RF2, 05K10RG1, 05K10GUB, 05K10KEA, 05K10RF2]
  2. Deutsche Forschungsgemeinschaft (DFG) [SFB925/A3]
  3. Deutsche Forschungsgemeinschaft [Mu 1068/22, B03/SFB755]
  4. European Union's Horizon 2020 research and innovation programme [654220]
  5. Helmholtz Initiative and Networking Fund through Young Investigator Groups Program

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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.

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