Preparation, characterization and ab initio computation of the first binary antimony azide, Sb(N 3 ) 3

Reaction of SbI3 with silver azide in acetonitrile solution gave Sb(N3)3 in high yield. The product was separated from silver iodide by extraction with acetonitrile. The identity of this first binary antimony azide was established by 14N NMR and IR spectroscopy. The molecular structure of Sb(N3)3 was computed ab initio at the Hartree–Fock (HF) level of theory (HF/6–31 + G*) using a quasi-relativistic pseudo-potential (ECP) for antimony. The calculated and observed IR frequencies are in reasonable agreement.