Cubane pyridine-acetylacetonate cluster complexes with the M3CuS45+ core (M = Mo, W)

The reactions between [Mo 3 (μ 3 -S)(μ 2 -S) 3 (Acac) 3 (Py) 3 ]PF 6 (HAcac is acetylacetone, Py is pyridine) and CuX (X = Cl, I, SCN) afford heterometallic cubane clusters [Mo 3 (CuX)(μ 3 -S) 4 (Acac) 3 (Py) 3 ]PF 6 . The structures of two new compounds, [Mo 3 (CuCl)S 4 (Acac) 3 (Py) 3 ]PF 6 · 3.25CH 2 Cl 2 · 0.5C 6 H 5 CH 3 and [Mo 3 (CuI)S 4 (Acac) 3 (Py) 3 ]PF 6 · 4C 6 H 6 , are determined by X-ray diffraction analysis. All synthesized compounds are characterized by elemental analysis and IR spectra. According to the vibrational spectra, the thiocyanate complex in the solid state is a mixture of the bond isomers [Mo 3 (CuNCS)S 4 (Acac) 3 (Py) 3 ]PF 6 and [Mo 3 (CuSCN)S 4 (Acac) 3 (Py) 3 ]PF 6 , whereas in solution this complex exists as a isothiocyanate form.