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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
An eleven-vertex deltahedron with hexacapped trigonal bipyramidal geometry
C W Liu1, Ping-Kuei Liao, Ching-Shiang Fang
1Department of Chemistry, National Dong Hwa University, Hualien, Taiwan 97401, ROC. chenwei@mail.ndhu.edu.tw
Chemical Communications (Cambridge, England)
|April 14, 2011
Summary
Researchers discovered the first elemental cluster with hexacapped trigonal bipyramidal geometry. This luminescent silver cluster is stabilized by dithiocarbamate ligands and contains an interstitial hydride, confirmed by DFT investigation.
Area of Science:
- Inorganic Chemistry
- Materials Science
- Computational Chemistry
Background:
- Elemental clusters are crucial in understanding chemical bonding and reactivity.
- Silver complexes with dithiocarbamate ligands are known for their diverse structures and luminescent properties.
- Hexacapped trigonal bipyramidal geometry is a rare and complex coordination polyhedron.
Purpose of the Study:
- To report the synthesis and characterization of a novel undecanuclear silver cluster.
- To investigate the unique hexacapped trigonal bipyramidal geometry of the elemental cluster.
- To confirm the presence and location of an interstitial hydride within the silver cage.
Main Methods:
- Single-crystal X-ray diffraction for structural determination.
- Luminescence spectroscopy for photophysical properties.
- Density Functional Theory (DFT) calculations for electronic structure and hydride positioning.
Main Results:
- The first elemental cluster exhibiting hexacapped trigonal bipyramidal geometry was synthesized.
- The luminescent undecanuclear silver complex, [Ag11], is stabilized by nine dithiocarbamate ligands.
- An interstitial hydride was identified within the Ag11 cage, with its position confirmed by DFT calculations.
Conclusions:
- The discovery of this unique cluster expands the known geometries for elemental clusters.
- The dithiocarbamate ligands play a vital role in stabilizing the complex cluster structure.
- The interstitial hydride significantly influences the electronic and structural properties of the silver cluster.
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