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Iridium had shown no special advantage in heterogeneous catalysis and this situation seemed to carry over into the early work in homogeneous catalysis. In particular, the failure of IrCl(PPh3)3, the Ir analog of Wilkinson’s catalyst, to give catalytic hydrogenation strongly influenced thinking at the time. The developments that changed the situation were Shrock and Osborn’s work on [(cod)RhL2]+ complexes...
During the last few years it has become possible to study enzymatic mechanisms by means of high accuracy quantum chemistry methods. In the present review, examples are given of applications of density functional theory to two mechanisms involving redox active centers. In methane monooxygenase an iron dimer complex oxidizes methane to methanol. A hydrogen abstraction mechanism is suggested involving...
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