Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 60, Issue 17, Pages 9407-9411Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202016027
Keywords
beryllium; carbene; metal-ligand multiple bonds; s-block
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Funding
- University of Virginia
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A novel beryllium imido complex with the shortest Be=N bond reported to date was synthesized and characterized experimentally and computationally. The existence of pi-bonding between beryllium and nitrogen was supported by density functional theory calculations.
A common feature of d- and p-block elements is that they participate in multiple bonding. In contrast, the synthesis of compounds containing homo- or hetero-nuclear multiple bonds involving s-block elements is extremely rare. Herein, we report the synthesis, molecular structure, and computational analysis of a beryllium imido (Be=N) complex (2), which was prepared via oxidation of a molecular Be-0 precursor (1) with trimethylsilyl azide Me3SiN3 (TMS-N-3). Notably, compound 2 features the shortest known Be=N bond (1.464 angstrom) to date. This represents the first compound with an s-block metal-nitrogen multiple bond. All compounds were characterized experimentally with multi-nuclear NMR spectroscopy (H-1, C-13, Be-9) and single-crystal X-ray diffraction studies. The bonding situation was analyzed with density functional theory (DFT) calculations, which supports the existence of pi-bonding between beryllium and nitrogen.
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