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Inorganics 2018, 6(1), 31; doi:10.3390/inorganics6010031

Predicted Siliconoids by Bridging Si9 Clusters through sp3-Si Linkers

Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85747 Garching, Germany
Author to whom correspondence should be addressed.
Received: 22 December 2017 / Revised: 4 February 2018 / Accepted: 17 February 2018 / Published: 26 February 2018
(This article belongs to the Special Issue Coordination Chemistry of Silicon)
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Charged and neutral silicon clusters comprising Si atoms that are exclusively connected to atoms of the same type serve as models for bulk silicon surfaces. The experimentally known nido-[Si9]4− Zintl cluster is investigated as a building block and allows for a theoretical prediction of novel silicon-rich oligomers and polymers by interconnection of such building units to larger aggregates. The stability and electronic properties of the polymers { ( [ Si 9 ] ( SiCl 2 ) 2 ) 1 n } and { ( [ Si 9 ] ( SiH 2 ) 2 ) 1 n } , as well as of related oligomers are presented. View Full-Text
Keywords: silicon cluster; siliconoid; nanoparticle; computation silicon cluster; siliconoid; nanoparticle; computation

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Jantke, L.-A.; Fässler, T.F. Predicted Siliconoids by Bridging Si9 Clusters through sp3-Si Linkers. Inorganics 2018, 6, 31.

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