High efficiency was found for desulfurization and denitrogenation processes to treat diesel using either the hybrid material {[MoO3(2,2′‐bipy)][MoO3(H2O)]}n or the octanuclear complex [Mo8O22(OH)4(di‐tBu‐bipy)4] (2,2′‐bipy = 2,2′‐bipyridine, di‐tBu‐bipy = 4,4′‐di‐tert‐butyl‐2,2′‐bipyridine) as catalysts. These processes were employed in a single procedure to simultaneously remove sulfur (dibenzothiophene, 4‐methyldibenzothiophene, and 4,6‐dimethyldibenzothiophene) and nitrogen (indole and quinoline) compounds from diesel. A reaction time of two hours was sufficient to achieve at least 99.9 % S removal and 97 % N removal. Furthermore, the catalytic systems presented a high capacity to be reused/recycled for consecutive desulfurization/denitrogenation cycles.