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Updated: Jul 11, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Can the four-coordinated, penta-valent oxygen in hydroxide water clusters be detected through experimental
Xiaohu Li1, Virginia E Teige, Srinivasan S Iyengar
1Department of Chemistry, Indiana University, 800 E. Kirkwood Ave, Bloomington, Indiana 47405, USA.
Abstract:
In this study, we construct the hydroxide water cluster, OH-(H2O)6, that (a) could support a stable hydroxide ion with a four-coordinated (pentavalent) hydroxide oxygen and (b) displays hydroxide ion migration. We study the energetic stability and dynamical evolution of the system at different internal temperatures and analyze the corresponding "dynamically averaged" vibrational density of states to discuss the conditions under which the pentavalent oxygen may be observed using vibrational action spectroscopy. We also provide an alternate hydroxide migration mechanism.
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