Iridium fluxional behavior

Phenyl-2,2 6, 2"-terpyridine reacts with [ Cp M(ju-Cl)Cl)2] (M = Rh, Ir) in methanol with sodium tetrafluoroborate to yield mononuclear cationic 9 (M = Rh, Ir) with the bidentate coordination mode and fluxional behavior of the ligand (98POL299). 1,4-Bis(2,2 6, 2"-terpyridyn-4 -yl)benzene with the same rhodium(III) and iridium(III) precursors forms dinuclear 10 (M = Rh, Ir) where the polypyridine ligand is still bidentately coordinated and fluxional. 

So far computational studies had only limited influence on the development of new catalysts and were mainly used to explain results after the fact. Given the high fluxion-ality and multifaceted aggregation behavior of iridium hydride species and the many... 

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