The substitution of PPh3 for a carbonyl group at the {Fe(CO)3} moiety in [Fe2(CO)4(κ 2-phen)(μ-pdt)] results in the formation of the trisubstituted complex [Fe2(CO)3(PPh3)(κ2- phen)(μ-pdt)] (2). Unlike its tetracarbonyl precursor, the protonation of 2 at low temperature does not afford any apparent transient terminal hydride species. Hydride formation for [Fe2(CO)3(L) (κ2-phen)(μ-pdt)] (L = PPh3, CO) species is also studied by density functional theory calculations, which show that activation barriers to give terminal and bridging hydrides can be remarkably close for this class of organometallic compounds. © 2010 American Chemical Society.
Schollhammer, P., Petillon, F., Talarmin, J., Gloaguen, F., Capon, J., Orain, P., et al. (2010). Investigation on the protonation of a trisubstituted [Fe2(CO)3(PPh3)(κ2-Phen)(µ-pdt)] complex related to [2Fe]H subsite of the [FeFe]H2ase. INORGANIC CHEMISTRY, 49(11), 5003-5008 [10.1021/ic100108h].
Investigation on the protonation of a trisubstituted [Fe2(CO)3(PPh3)(κ2-Phen)(µ-pdt)] complex related to [2Fe]H subsite of the [FeFe]H2ase
DE GIOIA, LUCA;ZAMPELLA, GIUSEPPE
2010
Abstract
The substitution of PPh3 for a carbonyl group at the {Fe(CO)3} moiety in [Fe2(CO)4(κ 2-phen)(μ-pdt)] results in the formation of the trisubstituted complex [Fe2(CO)3(PPh3)(κ2- phen)(μ-pdt)] (2). Unlike its tetracarbonyl precursor, the protonation of 2 at low temperature does not afford any apparent transient terminal hydride species. Hydride formation for [Fe2(CO)3(L) (κ2-phen)(μ-pdt)] (L = PPh3, CO) species is also studied by density functional theory calculations, which show that activation barriers to give terminal and bridging hydrides can be remarkably close for this class of organometallic compounds. © 2010 American Chemical Society.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
