Quantifying covalent interactions with resonant inelastic soft X-ray scattering

Autor: Kunnus, Kristjan, Josefsson, I., Schreck, Simon Frederik (Dr.), Quevedo, W., Miedema, P. S., Techert, S., de Groot, F. M. F., Föhlisch, Alexander (Prof. Dr.), Odelius, M., Wernet, Ph.
Jazyk: angličtina
Rok vydání: 2016
Předmět:
Popis: 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.
Databáze: OpenAIRE