Journal
DALTON TRANSACTIONS
Volume 42, Issue 32, Pages 11375-11384Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3dt50563d
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Funding
- Australian Research Council DECRA award [DE130100186]
- La Trobe University
- La Trobe Institute of Molecular Science
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A theoretical study of compounds containing Be in the + 1 or 0 oxidation state has been carried out. The molecules considered containing Be in the + 1 oxidation state are analogues of the important Mg(I)-Mg(I) dimer supported by the beta-diketiminate ligand. The molecules in the 0 oxidation state are NHC supported compounds analogous to molecular allotropes which has recently become a topic of importance in p-block chemistry. In this case, our results demonstrate that the Be(0) complexes are far more stable than the analogous Mg(0) complexes, highlighting the opportunities afforded in Be chemistry, despite the challenges presented by the toxicity of Be compounds.
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