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Updated: May 16, 2026

Analysis of Complex Molecules and Their Reactions on Surfaces by Means of Cluster-Induced Desorption/Ionization Mass Spectrometry
Published on: March 1, 2020
Charge delocalization induces reaction in molecular chains at a surface
1Lash Miller Chemical Laboratories, Department of Chemistry, University of Toronto, Ontario, Canada.
Electron-induced reactions in dimethyldisulfide chains on gold cause bond breaking and formation. This study reveals concurrent reactions along the entire molecular chain, yielding altered bonds and thiyl radicals.
Area of Science:
- Surface Science
- Chemical Physics
- Materials Science
Background:
- Self-assembled molecular chains offer unique platforms for studying chemical reactions.
- Understanding electron-induced reactions is crucial for molecular electronics and catalysis.
Purpose of the Study:
- To investigate the molecular dynamics of electron-induced reactions in a chain of four dimethyldisulfide molecules on a gold surface.
- To elucidate the mechanism of bond breaking and formation during the reaction.
Main Methods:
- Molecular dynamics simulations were employed to study the reaction.
- The study focused on a specific system: dimethyldisulfide on Au(111).
Main Results:
- Charge delocalization was observed to weaken all sulfur-sulfur (S-S) bonds in the molecular chain.
- A concurrent reaction occurred along the entire chain, breaking all original S-S bonds.
- Three altered S-S bonds and two chemisorbed thiyl radicals were formed.
Conclusions:
- Electron-induced reactions can lead to collective behavior in molecular chains.
- The findings provide insights into the reactivity of molecular assemblies on surfaces.
- This work contributes to the fundamental understanding of electron-driven chemical transformations.
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