Cooperative dihydrogen activation at a Na(i)2/Mg(i)2 ensemble†
Samuel E.
Neale, 
a
Michael S.
Hill,
*a
a
Michael S.
Hill,
*a
Abstract
[{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.
- This article is part of the themed collection: Chemical Communications HOT Articles 2023
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