Abrupt Change from Ionic to Covalent Bonding in Nickel Halides Accompanied by Ligand Field Inversion.

ABSTRACT: The electronic configuration of transition metal centers and their ligands is crucial for redox reactions in metal catalysis and electrochemistry. We characterize the electronic structure of gas-phase nickel monohalide cations via nickel L_2,3-edge X-ray absorption spectroscopy. Comparison with multiplet charge-transfer simulations and experimental spectra of selectively prepared nickel monocations in both ground- and excited-state configurations are used to facilitate our analysis. Only for [NiF]⁺ with an assigned ground state of ³Π can the bonding be described as predominantly ionic, while the heavier halides with assigned ground states of ³Π or ³Δ exhibit a predominantly covalent contribution. The increase in covalency is accompanied

SUBMITTER: Flach M 

PROVIDER: S-EPMC11200264 | biostudies-literature | 2024 Jun

REPOSITORIES: biostudies-literature