Tracking Cavity Formation in Electron Solvation: Insights from X-ray Spectroscopy and Theory.

Area of Science:

• Physical Chemistry
• Chemical Physics
• Materials Science

Background:

• Understanding the behavior of electrons and ions in liquid water is crucial for various chemical and physical processes.
• Ionized water systems present complex dynamics involving radicals, ions, and solvated species.
• Spectroscopic methods are vital for probing ultrafast events in condensed phases.

Purpose of the Study:

• To present time-resolved X-ray absorption spectra of ionized liquid water.
• To identify distinct spectroscopic signatures of OH radicals, H3O+ ions, and solvated electrons.
• To characterize the electron solvation process and its dependence on water structure.

Main Methods:

• Time-resolved X-ray absorption spectroscopy (TR-XAS) was employed to study ionized liquid water.
• Ab initio calculations were performed to support experimental observations.
• Spectroscopic analysis focused on the electronic response of oxygen atoms near solvated electrons.

Main Results:

• Distinct X-ray spectroscopic signatures were observed for OH radicals, H3O+ ions, and solvated electrons.
• Experimental results confirmed the formation of a cavity trapping the solvated electron.
• Solvation dynamics were found to be governed by structural fluctuations in water.

Conclusions:

• Time-resolved X-ray spectroscopy provides a powerful tool to probe ionized water.
• The electron solvation process is directly linked to the structural properties and dynamics of water.
• Solvation time is sensitive to temperature and the method of electron injection.