Diiron propanedithiolate hexacarbonyl

Diiron propanedithiolate hexacarbonyl is the organoiron complex with the formula Fe2(S2C3H6)(CO)6. It is a red diamagnetic solid.[1] It adopts a symmetrical structure with six terminal CO ligands.[2] The complex is a precursor to hydrogenase mimics.

Diiron propanedithiolate hexacarbonyl
Identifiers
3D model (JSmol)
Properties
C9H6Fe2O6S2
Molar mass 385.83
Appearance red solid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

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

2 Fe3(CO)12 + 3 C3H6(SH)2 → 3 Fe2(S2C3H6)(CO)6 + 3 H2 + 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.[3][4]

Upon irradiation of Fe2(S2C3H6)(CO)6 with ultraviolet (UV) light, CO-photolysis occurs with the transient formation of the unsaturated species followed by the formation of the solvent adduct.[5]

References
  1. Winter, A., Zsolnai, L., Huttner, G., "Zweikernige und dreikernige Carbonyleisenkomplexe mit 1,2- und 1,3-Dithiolatobrückenliganden", Z. Naturforsch. 1982, 37b, 1430.
  2. Lyon, E. J., Georgakaki, I. P., Reibenspies, J. H., Darensbourg, M. Y., "Carbon Monoxide and Cyanide Ligands in a Classical Organometallic Complex Model for Fe-Only Hydrogenase", Angew. Chem. Int. Ed. 1999, 38, 3178.
  3. Mack, A.; Rauchfuss, T. B., "(1,3-Propanedithiolato)hexacarbonyl and Cyanide Derivatives", Inorganic Synthesis. 2010, volume 35, 143. doi:10.1002/9780470651568.ch7
  4. Works, C., "Laboratory Experiment or Mini-Project for Inorganic Chemistry or Integrated Laboratory", Journal of Chemical Education. 2007, 84, 836.
  5. Mack, A. R. Ridley, A. I. Stewart, K. Adamczyk, H. N. Ghosh, B. Kerkeni, Z. X. Guo, E. T. J. Nibbering, C. J. Pickett, N. T. Hunt "(1,3-Propanedithiolato)hexacarbonyl and Cyanide Derivatives", Inorg. Chem. 2008, 47, 7453-7455 doi:10.1021/ic800568k
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