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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 σMg–Mg → σ*H–H and σH–H → n*Na(3s) interactions between the frontier MOs of both H2 and the tetrametallic core of [{SiNDipp}MgNa]2.
Original language | English |
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Pages (from-to) | 3846-3849 |
Number of pages | 4 |
Journal | Chemical communications (Cambridge, England) |
Volume | 59 |
Issue number | 26 |
Early online date | 28 Mar 2023 |
DOIs | |
Publication status | Published - 4 Apr 2023 |
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Dive into the research topics of 'Cooperative Dihydrogen Activation at a Na(I)2/Mg(I)2 Ensemble'. Together they form a unique fingerprint.Projects
- 1 Finished
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Nucleophilic alkaline earth boryls: from conception and theory to application
Hill, M., Cresswell, A. & McMullin, C.
Engineering and Physical Sciences Research Council
1/05/18 → 31/07/22
Project: Research council
Equipment
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High Performance Computing (HPC) Facility
Steven Chapman (Manager)
University of BathFacility/equipment: Facility