Investigation of solvated calcium dication structure in pure water, methanol, and ethanol solutions by means of K and L2,3-edges X-ray absorption spectroscopy
- Resource Type
- ACADEMIC JOURNAL
- In Journal of Electron Spectroscopy and Related Phenomena October 2020 244
Highlights •X-ray absorption spectroscopy to probe the calcium dication environment in solution.•Crystal field splitting depends on the solvent following the series water-methanol-ethanol.•K-edge excitation highlights distinct solvent-dependent features: Ca 1 s to 3d and 4p transitions.•L2,3-edge excitation described in terms of Ca 2p to eg and t2g transitions for each of the two spin orbit components.•Assignment of spectral structures supported by ab-initio quantum chemical calculations.