Cooperative dihydrogen activation at a Na(I)2/Mg(I)2 ensemble.

[{SiNDipp}MgNa]2 ({SiNDipp} = {CH2SiMe2N(Dipp)}2; Dipp = 2,6-i-Pr2C6H3) reacts directly with H2 to provide a heterobimetallic hydride. Although the transformation is complicated by the simultaneous disproportionation of magnesium, computational density functional theory (DFT) studies suggest that this reactivity is initiated by orbitally-constrained and interactions between the frontier MOs of both H2 and the tetrametallic core of [{SiNDipp}MgNa]2. [ABSTRACT FROM AUTHOR]