A new class of functionalized polyoxometalates: synthesis, structure and preliminary antitumor activity studies of three arylimido substituted hexamolybdates bearing a strong electron-withdrawing nitro group, (Bu4N)2[Mo6O18([triple bond]NAr)] (Ar = 3-NO2-C6H4, 2-CH3-4-NO2-C6H3, 2-CH3-5-NO2-C6H3)

Three novel mono-functionalized arylimido derivatives of hexamolybdate bearing the strongest electron-withdrawing nitro group, (Bu(4)N)(2)[Mo(6)O(18)([triple bond, length as m-dash]NAr)] (, and ), have been synthesized for the first time by an improved reaction of octamolybdate ion and 3-nitroaniline hydrochloride, 2-methyl-4-nitroaniline hydrochloride and 2-methyl-5-nitroaniline hydrochloride respectively with DCC (N,N'-dicyclohexylcarbodiimide) as a dehydrating agent. Complete assignments were achieved for the title compounds by elemental analysis, IR, (1)H NMR, UV/visible and single-crystal X-ray diffraction analyses. The preliminary antitumor activity test indicated that the title compounds have some effects on the cellular growth inhibition of K562 cells.