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Updated: Aug 7, 2025

Supercritical Nitrogen Processing for the Purification of Reactive Porous Materials
Published on: May 15, 2015
Cooperative dihydrogen activation at a Na(I)2/Mg(I)2 ensemble
Han-Ying Liu1, Samuel E Neale1, Michael S Hill1
1Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK. msh27@bath.ac.uk.
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.
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