Ga 2 SbCl 7 O – A Molecular Gallium Antimony Chloride Oxide Synthesized from a GaCl 3 Melt

Gallium antimony chloride oxide, Ga 2 SbCl 7 O, is formed in a GaCl 3 ‐based melt containing tellurium, antimony, SbCl 3 , and Sb 2 O 3 in form of colorless, highly hygroscopic crystals. The crystal structure consists of discrete molecules, in which a bent SbOCl unit is coordinated by two GaCl 3 groups. The Ga atoms coordinate the oxygen atom, resulting in a planar [Ga 2 SbO] central building unit. A distinct stereochemical lone pair effect is present at the antimony atom. In the crystal, the molecules are packed in the motif of a hexagonal closest packing. DFT calculations and NBO considerations show that the low lying molecular orbital comprising the lone pair at the oxygen atom emerges from a pure p orbital showing almost no delocalization and no steric effect.