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An extended chiral surface coordination network based on Ag7-clusters
Katrine L Svane1, Mahdi S Baviloliaei2, Bjørk Hammer1
1iNANO, Department of Physics and Astronomy, Aarhus University, Aarhus, 8000 Aarhus C, Denmark.
The Journal of Chemical Physics
|November 3, 2018
Summary
We discovered a novel chiral metal-coordinated structure formed by trimesic acid on a silver surface. This stable structure features large silver clusters coordinated by dehydrogenated trimesic acid molecules.
Area of Science:
- Surface science
- Materials chemistry
- Supramolecular chemistry
Background:
- Self-assembly of organic molecules on metal surfaces is crucial for creating functional nanomaterials.
- Trimesic acid (TMA) is a common building block for metal-organic frameworks and surface coordination structures.
- Understanding the interplay between molecular structure and surface interactions guides the design of novel materials.
Purpose of the Study:
- To investigate the formation and structure of metal-coordinated assemblies of trimesic acid on the Ag(111) surface.
- To determine the stability and energetic favorability of different structural motifs.
- To elucidate the role of metal-ligand bonding and surface interactions in directing self-assembly.
Main Methods:
- Deposition of trimesic acid (TMA) onto a Ag(111) surface under ultra-high vacuum conditions.
- Annealing the system to induce structural formation.
- Characterization using Scanning Tunneling Microscopy (STM).
- Theoretical analysis using Density Functional Theory (DFT) calculations.
Main Results:
- Formation of an extended metal-coordinated structure at 510 K.
- Identification of a novel structure comprising silver clusters (seven Ag atoms) coordinated by six dehydrogenated TMA molecules.
- Observation of an asymmetrically arranged, chiral molecular configuration.
- DFT calculations confirmed the lower free energy of this structure compared to lower-temperature hydrogen-bonded phases.
- The stability is attributed to low silver adatom formation energy, strong Ag-O bonds, and favorable lattice matching.
Conclusions:
- A stable, chiral metal-coordinated structure of TMA on Ag(111) can be formed at elevated temperatures.
- This structure is energetically favored over previously observed hydrogen-bonded phases.
- The formation of large metal clusters is facilitated by specific properties of silver and the Ag-O interaction.
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