Das cubane

Das cubane

Names
Other names tetrakis[μ-(acetato-κO:κO')]tetra-μ3-oxotetrakis(pyridine)tetracobalt
Identifiers
CAS Number	209162-45-8
3D model (JSmol)	Interactive image
InChI InChI=1S/4C5H5N.4C2H4O2.4Co.4O/c4*1-2-4-6-5-3-1;4*1-2(3)4;;;;;;;;/h4*1-5H;4*1H3,(H,3,4);;;;;;;;/q;;;;;;;;4*+1;;;;/p-4 Key: JIRPTERIJDAISX-UHFFFAOYSA-J
SMILES [Co+]=O.[Co+]=O.[Co+]=O.[Co+]=O.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
Properties
Chemical formula	C28H32Co4N4O12
Molar mass	852.313 g·mol−1
Appearance	olive green solid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

The Das cubane is a transition metal carboxylate complex with the formula [CoO(OAc)py]₄ where OAc is acetate and py is pyridine. The compound is named after Birinchi K. Das, who led the team that discovered the cluster. The compound features of Co₄O₄ core. Each Co(III) center is low-spin and has octahedral geometry. The compound is prepared by mixing a cobalt(II) salt with acetate and pyridine followed by oxidation with hydrogen peroxide. ^[1] Cobalt(III) carboxylates have attracted interest as catalysts for the oxidation of xylene to terephthalic acid. ^[2]

References

1. Chakrabarty, Rajesh; Bora, Sanchay J.; Das, Birinchi K. (2007). "Synthesis, Structure, Spectral and Electrochemical Properties, and Catalytic Use of Cobalt(III)−Oxo Cubane Clusters". Inorganic Chemistry. 46 (22): 9450–9462. doi:10.1021/ic7011759. PMID   17910439.
2. Beattie, James K.; Hambley, Trevor W.; Klepetko, John A.; Masters, Anthony F.; Turner, Peter (1997). "The Chemistry of Cobalt Acetate—III. The isolation and crystal structure characterisation of the mixed valence octacobalt oligomer, [Co₈(O)₄(CH₃CO₂)₆(OMe)₄]Cl₄(OH_n)₄ · 6H₂O (N = 1 or 2), derived from the preparation of cobalt(III) acetate". Polyhedron. 16 (12): 2109–2112. doi:10.1016/S0277-5387(96)00498-6.