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The HNBeCO complex is generated via the reaction of a beryllium atom with a HNCO molecule in a solid neon matrix, which is identified via infrared absorption spectroscopy with isotopic substitutions. The complex is characterized to have a linear structure with a very short Be–N bond distance. Bonding analyses indicate that the complex involves an unprecedented HNBeCO triple bond consisting of two degenerate electron-sharing π bonds and a dative σ bond with the π bonds being much stronger than the σ bond.

Graphical abstract: Triple bonding between beryllium and nitrogen in HNBeCO

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