Alkali Metal Species in the Reversible Activation of H2.

MPtBu2 (M = Li, Na, K), KH and KN(SiMe3)2 are shown to activate HD reversibly. In the case of MPtBu2 this leads to isotopic scrambling and the formation of H2, D2, H(D)PtBu2 and MH(D) in C6D6. In toluene, KPtBu2 reacts with H2 but also leads to isotopic scrambling into the methyl groups of the solvent toluene. DFT calculations reveal that these systems… CONTINUE READING