Synthesis, spectroscopic studies and crystal structure of a polyoxoanion cluster incorporating para-bromophenylimido ligand, (Bu4N)2[Mo6O18(NC6H4Br-p)]

An organic–inorganic hybrid compound, (Bu4N)2[Mo6O18(NAr)] (Ar = p-BrC6H4) has been synthesized via the DCC dehydrating protocol of the reaction of [α-Mo8O26]4− with 4-bromoaniline hydrochloride in anhydrous acetonitrile, which has been characterized by UV–Vis spectra, 1H NMR and single crystal X-ray diffraction study. By comparing the UV–Vis spectra, which were used to monitor the reaction, the optimum preparative condition for this compound was also determined. This compound crystallizes in the monoclinic space group P21/n, which is featured in a terminal para-bromophenylimido group linked to an Mo atom of a hexamolybdate cluster by a Mo–N triply bond. In addition, there are π–π dimerization of the neighboring cluster anions though the parallel aromatic rings in their crystals.