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Surface or Internal Hydration - Does It Really Matter?
Christian van der Linde1, Milan Ončák1, Ethan M Cunningham1
1Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck, Technikerstraße 25, 6020Innsbruck, Austria.
Journal of the American Society for Mass Spectrometry
|February 6, 2023
Summary
Determining if ions or electrons are on the surface or inside water clusters is key. Researchers used spectroscopy, quantum chemistry, and nanocalorimetry to study solvation structures and reactivity.
Area of Science:
- Physical Chemistry
- Chemical Physics
- Computational Chemistry
Background:
- The location of ions and electrons within water clusters (surface vs. internal solvation) influences their properties.
- Hydrogen bonding networks play a crucial role in determining solvation preferences.
Purpose of the Study:
- To investigate the structural preferences of ion and electron solvation in gas-phase water clusters.
- To elucidate the impact of solvation structure on cluster reactivity and thermochemistry.
Main Methods:
- Utilized spectroscopic probes and quantum chemistry calculations to analyze ion structures.
- Employed H/D exchange for structure elucidation.
- Applied nanocalorimetry to detect thermochemical signatures of solvation.
Main Results:
- Spectroscopic and computational methods reveal insights into surface versus internal solvation.
- Nanocalorimetry provides thermochemical evidence for solvation structures.
- Size-dependent reactivity highlights the influence of solvation on cluster dynamics.
Conclusions:
- The precise location of ions/electrons in water clusters is influenced by subtle hydrogen bonding differences.
- Solvation structure significantly impacts unimolecular rearrangements and ion-molecule reactions.
- A combination of experimental and theoretical techniques is effective for studying these systems.
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