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Diiron propanedithiolate hexacarbonyl

Diiron propanedithiolate hexacarbonyl is the organoiron complex with the formula Fe<sub>2</sub>(S<sub>2</sub>C<sub>3</sub>H<sub>6</sub>)(CO)<sub>6</sub>. It is a red diamagnetic solid. It adopts a symmetrical structure with six terminal CO ligands. The complex is a precursor to hydrogenase mimics.

It is prepared by the reaction of 1,3-propanedithiol with triiron dodecacarbonyl:

2 Fe<sub>3</sub>(CO)<sub>12</sub> + 3 C<sub>3</sub>H<sub>6</sub>(SH)<sub>2</sub> → 3 Fe<sub>2</sub>(S<sub>2</sub>C<sub>3</sub>H<sub>6</sub>)(CO)<sub>6</sub> + 3 H<sub>2</sub> + 6 CO

In general, the CO ligands can be substituted by cyanide, phosphines, isocyanides, N-heterocyclic carbenes, and other donor ligands. Monosubstitution can be achieved through an in situ generation of the acetonitrile complex.

Upon irradiation of Fe<sub>2</sub>(S<sub>2</sub>C<sub>3</sub>H<sub>6</sub>)(CO)<sub>6</sub> with ultraviolet (UV) light, CO-photolysis occurs with the transient formation of the unsaturated species followed by the formation of the solvent adduct.

References