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Updated: Jun 10, 2026
06:53
Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
Published on: July 27, 2018
Structure of Fluoride Anion Aqueous Solution Derived from X-ray Spectroscopy.
Vincenzo Carravetta1,2, Johan Söderström2, Arnaldo Naves de Brito3
1Institute of Chemical and Physical Processes, CNR, Via Giuseppe Moruzzi 1, Pisa 56124, Italy.
The Journal of Physical Chemistry. B
|June 8, 2026
Summary
We measured X-ray emission and absorption spectra for fluoride ions in water. Our findings reveal key distances in solvation shells and identify interatomic radiative decay, offering new insights into anionic solution properties.
Area of Science:
- Physical Chemistry
- Spectroscopy
- Computational Chemistry
Background:
- Understanding aqueous solutions is crucial for chemistry and biology.
- X-ray spectroscopy provides insights into electronic structure and bonding.
- Anionic solvation dynamics are less understood than cationic systems.
Purpose of the Study:
- To investigate the structure and electronic properties of fluoride ions in aqueous solution.
- To analyze X-ray emission (XES) and absorption (XAS) spectra of F-.
- To compare experimental spectra with theoretical calculations.
Main Methods:
- Combined ab initio quantum chemistry spectral calculations.
- Quantum molecular dynamics simulations.
- X-ray emission (XES) and absorption (XAS) spectroscopy.
Main Results:
- Spectra show distinct dependence on anion-water distance.
- XES intensities reconfigure, XAS excitation energy is sensitive to F-O distance.
- Experimental and calculated spectra yield a predicted F-O distance of 2.7 Å.
- Identified interatomic radiative decay (IRD) for F-, a negative ion counterpart to cation IRD.
Conclusions:
- The combination of XES, XAS, and theoretical calculations is powerful for studying anionic solutions.
- This approach provides detailed structural and electronic information.
- Future studies can benefit from this integrated methodology for anionic systems.
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