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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

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Probing hydration-driven ion recognition using cryogenic ion trap infrared spectroscopy.

Keisuke Hirata¹, James M Lisy^2,3, Masaaki Fujii^2,4

¹Department of Chemistry, School of Science, Institute of Science Tokyo, 2-12-1 4259 Ookayama, Meguro-ku, Tokyo 152-8550, Japan. hirata.k.c502@m.isct.ac.jp.

Physical Chemistry Chemical Physics : PCCP

|June 16, 2026

Summary

Cryogenic ion spectroscopy reveals water

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Area of Science:

Chemical Physics
Biophysical Chemistry
Spectroscopy

Background:

Ion recognition is crucial in chemistry and biology.
Understanding solvation structures is key but challenging.
Cryogenic ion trap spectroscopy offers new insights.

Purpose of the Study:

To review advances in probing micro-solvated ion-ionophore complexes.
To elucidate hydration-driven ion recognition mechanisms.
To highlight the role of water in ion selectivity.

Main Methods:

Gas-phase cryogenic ion trap spectroscopy.
Cryogenic double ion trap infrared spectroscopy.
Focus on valinomycin, 18-crown-6, and beauvericin.

Main Results:

Water plays a critical role in ion selectivity for flexible ionophores.
Mechanisms go beyond the traditional size-matching model.
Structural evolution of micro-solvated complexes can be probed.

Conclusions:

Cryogenic ion spectroscopy is vital for understanding solvation effects.
Water's role in ion recognition is more complex than previously thought.
Future applications in functional molecule chemistry.