Reductive
Coupling of Azides Mediated by an Iron(II)
Bis(alkoxide) Complex
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Abstract
The
iron(III) hexazene complex (RO)<sub>2</sub>Fe(μ-κ<sup>2</sup>:κ<sup>2</sup>-AdN<sub>6</sub>Ad)Fe(OR)<sub>2</sub> (<b>3</b>) was synthesized via reductive coupling of 1-azidoadamantane
at the iron(II) bis(alkoxide) complex Fe(OR)<sub>2</sub>(THF)<sub>2</sub> (<b>2</b>). The X-ray crystal structure depicts electron
delocalization within the hexazene moiety. Density functional theory
studies propose the formation of an iron azide dimer on the route
to hexazene, in which each azide is monoreduced and the iron centers
are oxidized to the 3+ oxidation state
