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Related Concept Videos

Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration02:34

Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration

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The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
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Aldehydes and Ketones with Water: Hydrate Formation01:20

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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.
The formation of hydrates is a reversible reaction. Hydrate formation is influenced by steric and electronic factors accompanying the alkyl substituents on the carbonyl group: The rate of hydrate formation increases with a decrease in the number of alkyl groups attached to the carbonyl carbon. Hence,...
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Alkynes to Aldehydes and Ketones: Acid-Catalyzed Hydration02:40

Alkynes to Aldehydes and Ketones: Acid-Catalyzed Hydration

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Introduction
Analogous to alkenes, alkynes also undergo acid-catalyzed hydration. While the addition of water to an alkene gives an alcohol, hydration of alkynes produces different products such as aldehydes and ketones.
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Reduction of Alkenes: Catalytic Hydrogenation02:13

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
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Acid-Catalyzed Hydration of Alkenes02:45

Acid-Catalyzed Hydration of Alkenes

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Alkenes react with water in the presence of an acid to form an alcohol. In the absence of acid, hydration of alkenes does not occur at a significant rate, and the acid is not consumed in the reaction. Therefore, alkene hydration is an acid-catalyzed reaction.
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Reduction of Alkenes: Asymmetric Catalytic Hydrogenation02:17

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Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Ni-Atom Induced Interface Water Reorientation around Ru Clusters for Alkaline Hydrogen Evolution Reaction.

Gege Yang1, Hairui Cai1, Fumin Li1

  • 1Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter (Ministry of Education), School of Physics, Xi'an Jiaotong University, Xi'an, P. R. China.

Small (Weinheim an Der Bergstrasse, Germany)
|March 16, 2026
PubMed
Summary

Researchers enhanced hydrogen evolution reaction (HER) by doping nickel (Ni) into ruthenium (Ru) clusters on a carbon substrate. This strategy optimizes water molecule orientation, accelerating water dissociation for efficient HER catalysis.

Keywords:
Ni‐atomRu clustersalkaline hydrogen evolution reactioninterface water reorientationwater dissociation

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

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Area of Science:

  • Electrochemistry
  • Materials Science
  • Catalysis

Background:

  • Sluggish water dissociation in alkaline electrolytes limits hydrogen evolution reaction (HER) kinetics.
  • Controlling interfacial water molecule orientation is crucial for accelerating water dissociation.
  • Random water distribution poses challenges in catalyst design for efficient HER.

Purpose of the Study:

  • To develop a strategy for modulating interfacial water structure via manipulated charge distribution.
  • To enhance hydrogen evolution reaction (HER) performance by optimizing catalyst electronic structure and water interactions.
  • To investigate the effect of Ni doping on Ru clusters anchored on N, B-doped carbon (NBC) for HER.

Main Methods:

  • Synthesized Ni-doped Ru clusters on a N, B-doped carbon substrate (RuNi-NBC).
  • Investigated the electronic structure modulation of Ru clusters by Ni doping.
  • Analyzed the reorientation of interfacial water hydrate (K+•H2O) around Ru sites.
  • Evaluated the electrocatalytic performance for HER in 1.0 m KOH.

Main Results:

  • Ni doping effectively modulated the charge distribution and electronic structure of Ru clusters.
  • Induced reorientation of interfacial water hydrate (K+•H2O) around Ru sites, enhancing interactions.
  • Accelerated water dissociation kinetics, evidenced by shortened Ru-H distance and promoted H-OH bond polarization.
  • Achieved an ultralow overpotential of 17 mV at 10 mAcm-2 and excellent stability for HER.

Conclusions:

  • Manipulating interfacial water structure through catalyst electronic modulation is a viable strategy for enhancing HER.
  • The RuNi-NBC catalyst demonstrates superior performance and stability for hydrogen evolution reaction.
  • This work offers a novel approach for designing advanced electrocatalysts by controlling water dissociation kinetics.