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Aldehydes and Ketones with Water: Hydrate Formation

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An oxygen-based nucleophile, like water, can undergo addition reactions with aldehydes and ketones. The reaction leads to the formation of hydrates, also referred to as 1,1-diols or geminal diols.
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Introduction
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Direct Observation of Hydroxyls Formed from Water and Oxygen on Ag(100).

Cole A Easton¹, Sarah M Stratton², Nima Rajabi¹

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|January 11, 2026

Summary

Oxygen interaction with silver surfaces, particularly the Ag(100) facet, involves both oxygen adatoms and hydroxyl groups (OH). This finding is crucial for understanding silver's catalytic activity in oxidation reactions.

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Area of Science:

Surface science
Catalysis
Materials science

Background:

Silver nanoparticles are vital catalysts for partial oxidation reactions, such as ethylene epoxidation.
The Ag(100) surface is proposed as highly selective but remains less studied than other facets.
Understanding oxygen interactions on silver surfaces is key to optimizing catalytic performance.

Purpose of the Study:

To investigate the interaction of oxygen with the Ag(100) surface.
To identify surface species formed during oxygen exposure on Ag(100).
To assess the role of hydroxyl groups in silver catalysis.

Main Methods:

Scanning tunneling microscopy (STM) for atomic-level surface imaging.
Synchrotron X-ray photoelectron spectroscopy (XPS) for chemical state analysis.
Density functional theory (DFT) calculations for thermodynamic assessment.

Main Results:

Oxygen dissociation on Ag(100) forms both oxygen adatoms and hydroxyl groups (OH).
Hydroxyl groups exhibit a binding energy of approximately 531 eV.
The ratio of oxygen adatoms to hydroxyl groups is influenced by water exposure and surface temperature.
DFT calculations confirm the exothermic formation of OH from oxygen and water.

Conclusions:

Hydroxyl groups are present on Ag(100) even under ultrahigh vacuum conditions.
Both oxygen adatoms and hydroxyl groups should be considered in catalytic mechanisms involving silver.
This study provides new insights into the surface chemistry of Ag(100) relevant to catalysis.