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Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds. | LitMetric

Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds.

Angew Chem Int Ed Engl

Institute of Inorganic Chemistry, Leipzig University, Johannisallee 29, 04103, Leipzig, Germany.

Published: September 2017

AI Article Synopsis

Article Abstract

The hydrogenation of Zintl phases enables the formation of new structural entities with main-group-element-hydrogen bonds in the solid state. The hydrogenation of SrSi, BaSi, and BaGe yields the hydrides SrSiH BaSiH and BaGeH . The crystal structures show a sixfold superstructure compared to the parent Zintl phase and were solved by a combination of X-ray, neutron, and electron diffraction and the aid of DFT calculations. Layers of connected HSr (HBa ) tetrahedra containing hydride ions alternate with layers of infinite single- and double-chain polyanions, in which hydrogen atoms are covalently bound to silicon and germanium. The idealized formulae AeTtH (Ae=alkaline earth, Tt=tetrel) can be rationalized with the Zintl-Klemm concept according to (Ae ) (TtH )(Tt H )(H ) , where all Tt atoms are three-binding. The non-stoichiometry (SrSiH , x=0.17(2); BaGeH , x=0.10(3)) can be explained by additional π-bonding of the Tt chains.

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Source
http://dx.doi.org/10.1002/anie.201706523DOI Listing

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