Structure and Bonding in a Disilazane Ruthenium Complex. Catalytic Selective Deuteration of Disilazane

The disilazane complex [RuH2{(η2-HSiMe2)2NH}(PCy3)2] (2) was formed by the reaction of the bis(dihydrogen) complex RuH2(H2)2(PCy3)2 (1) with 1,1,3,3-tetramethyldisilazane. The coordination of the disilazane
ligand is discussed on the basis of NMR, X-ray, and DFT
studies. The choice of the functional (B3PW91 versus
B3LYP) is crucial in this system. 1 is an active catalyst
for the selective deuteration of the starting disilazane
(HSiMe2)2NH into (DSiMe2)2NH.