Diiron propanedithiolate hexacarbonyl

Diiron propanedithiolate hexacarbonyl
Identifiers

CAS Number	70789-83-2
3D model (JSmol)	Interactive image
PubChem CID	139250566
InChI InChI=1S/C3H8S2.6CO.2Fe/c4-2-1-3-5;6*1-2;;/h4-5H,1-3H2;;;;;;;;/p-2 Key: ZHHRDZYBLRXFMT-UHFFFAOYSA-L
SMILES O=[C][Fe]12([C]=O)([C]=O)[S]3CCC[S]1[Fe]23([C]=O)([C]=O)[C]=O
Properties
Chemical formula	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

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.

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

^ Winter, A., Zsolnai, L., Huttner, G., "Zweikernige und dreikernige Carbonyleisenkomplexe mit 1,2- und 1,3-Dithiolatobrückenliganden", Z. Naturforsch. 1982, 37b, 1430.
^ 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.
^ Mack, A.; Rauchfuss, T. B., "(1,3-Propanedithiolato)hexacarbonyl and Cyanide Derivatives", Inorganic Synthesis. 2010, volume 35, 143. doi:10.1002/9780470651568.ch7
^ Works, C., "Laboratory Experiment or Mini-Project for Inorganic Chemistry or Integrated Laboratory", Journal of Chemical Education. 2007, 84, 836.
^ 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