Heterometallic Mg−Ba Hydride Clusters in Hydrogenation Catalysis

@article{Wiesinger2021HeterometallicMH,
  title={Heterometallic Mg−Ba Hydride Clusters in Hydrogenation Catalysis},
  author={Michael Wiesinger and Christian Kn{\"u}pfer and Holger Elsen and Jonathan Mai and Jens Langer and Sjoerd Harder},
  journal={ChemCatChem},
  year={2021},
  volume={13}
}
Reaction of a MgN“2/BaN”2 mixture (N“=N(SiMe3)2) with PhSiH3 gave three unique heterometallic Mg/Ba hydride clusters: Mg5Ba4H11N”7 ⋅ (benzene)2 (1), Mg4Ba7H13N“9 ⋅ (toluene)2 (2) and Mg7Ba12H26N”12 (3). Product formation is controlled by the Mg/Ba ratio and temperature. Crystal structures are described. While 3 is fully insoluble, clusters 1 and 2 retain their structures in aromatic solvents. DFT calculations and AIM analyses indicate highly ionic bonding with Mg−H and Ba−H bond paths. Also… 
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