Binuclear pentafluorocyclopentadienyl metal carbonyls of iron, cobalt, and nickel: Effect of fluorine substitution

Density functional theory studies on (C5F5)2M2(CO)n (M = Fe, n = 4, 3, 2; M = Co, n = 3, 2, 1; M = Ni, n = 2, 1) find pentahapto η5-C5F5 ligands in all of the low energy structures. In general, these low energy structures of these η5-C5F5 derivatives parallel rather closely those of their hydrocarbon analogs with relatively little change upon substituting all of the hydrogen atoms with fluorine atoms.