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Abstract
Ionic compounds containing sodium cations are notable for their stability and resistance to redox reactivity unless highly reducing electrical potentials are applied. Here we report that treatment of a low oxidation state {Mg2Na2} species with non-reducible organic bases induces the spontaneous and completely selective extrusion of sodium metal and oxidation of the Mg(I) centers to the more conventional Mg(II) state. Although these processes are also characterized by a structural reorganisation of the initially chelated diamide spectator ligand, computational quantum chemical studies indicate that intramolecular electron transfer is abetted by the frontier molecular orbitals (HOMO/LUMO) of the {Mg2Na2} ensemble, which arise exclusively from the 3s valence atomic orbitals of the constituent sodium and magnesium atoms.
Original language | English |
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Article number | e202213670 |
Number of pages | 9 |
Journal | Angewandte Chemie-International Edition |
Volume | 62 |
Issue number | 3 |
Early online date | 16 Nov 2022 |
DOIs | |
Publication status | Published - 16 Jan 2023 |
Keywords
- Density Functional Theory
- Magnesium
- Main Group Chemistry
- Redox Chemistry
- Sodium
ASJC Scopus subject areas
- Catalysis
- Chemistry(all)
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Dive into the research topics of 'Reduction of Na+ within a {Mg2Na2} Assembly'. 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