TL;DR: In this paper, the molecular and crystal structures of the hybrid compounds 1 and 2 were determined by X-ray single crystal diffraction, and their UV, IR and NMR spectra were compared.
Abstract: In the presence of N, N′-dicyclohexylcarbodiimide (DCC), (Bu4N)2[Mo6O18(NAr)] (1) and (Bu4N)2[Mo6O17(NAr)2] (2), Ar = o-CH3C6H4, have been synthesized via the reaction of [α-Mo8O26]4— with o-toluidine. If the hydrochloride salt of o-toluidine was added into the reactive mixture, only the monofunctionalized imido derivative of [Mo6O19]2— was obtained; the bifunctionalized derivative of [Mo6O19]2— was exclusively synthesized in the presence of non-protonated o-toluidine. The molecular and crystal structures of the hybrid compounds 1 and 2 were determined by X-ray single crystal diffraction, and their UV, IR and NMR spectra were compared. Additionally, a possible reaction mechanism was proposed.