Quantifying covalent interactions with resonant inelastic soft X-ray scattering
- We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L-3-edge allows to determine that the Ni 3d orbitals have on average 5.5% of water character. We propose that 2p3d RIXS at the Ni L-3-edge can be utilized to quantify covalency in Ni complexes without the use of external references or simulations.
| Author details: | Kristjan KunnusORCiD, I. Josefsson, Simon Frederik SchreckGND, W. Quevedo, P. S. Miedema, S. Techert, F. M. F. de Groot, Alexander FöhlischORCiDGND, M. Odelius, Ph. Wernet |
|---|---|
| DOI: | https://doi.org/10.1016/j.cplett.2016.12.046 |
| ISSN: | 0009-2614 |
| ISSN: | 1873-4448 |
| Title of parent work (English): | Chemical physics letters |
| Subtitle (English): | case study of Ni2+ aqua complex |
| Publisher: | Elsevier |
| Place of publishing: | Amsterdam |
| Publication type: | Article |
| Language: | English |
| Date of first publication: | 2016/12/29 |
| Publication year: | 2017 |
| Release date: | 2022/07/04 |
| Tag: | Aqueous solution; Charge-transfer state; Covalent interaction; Ligand-field state; Resonant inelastic X-ray scattering; Transition-metal ion |
| Volume: | 669 |
| Number of pages: | 6 |
| First page: | 196 |
| Last Page: | 201 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Physik und Astronomie |
| DDC classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Peer review: | Referiert |
