Simulating the effect of a triple bond to achieve the shortest main group metal-metal distance in diberyllium complexes: a computational study.

@article{Zhao2018SimulatingTE,
  title={Simulating the effect of a triple bond to achieve the shortest main group metal-metal distance in diberyllium complexes: a computational study.},
  author={Xue-Feng Zhao and C. Yuan and Si-Dian Li and Y. Wu and Xiaotai Wang},
  journal={Dalton transactions},
  year={2018},
  volume={47 41},
  pages={
          14462-14467
        }
}
The subject of metal-metal bonding interactions in molecular systems continues to attract research interest. Chromium heretofore has been the only element known to afford metal-metal distances shorter than 1.700 Å in the form of Cr-Cr multiple bonds. In this computational study, the effect of a triple bond on reducing interatomic distances is simulated through forming three non-classical bonding orbitals between two beryllium atoms, thereby realizing the remarkably short Be-Be distances (1.692… Expand
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