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Synthetic, structural and reactivity studies of a boryl-ethynyl Silylene.

Wenhao ChenHaisheng HuJie FengLei ZhuDi Wu
Published in: Chemical communications (Cambridge, England) (2024)
The salt metathesis of a boryl-ethynyl lithium salt {[(HCDipN) 2 ]B-CC-Li} with a monochlorosilylene [LSi(:)Cl; L = PhC(N t Bu) 2 ] produced an isolable boryl-ethynyl silylene {1; [(HCDipN) 2 ]B-CC-Si(L)}. The Si(II) center in 1 possesses a nonbonding lone pair and forms a covalent bond with the ethynyl group. The characterization of 1 was carried out by multinuclear NMR spectroscopy, single-crystal X-ray structure analysis and DFT calculations. Additionally, a reactivity study of 1 was conducted towards oxygen-containing and aryl C-F substrates.
Keyphrases
  • density functional theory
  • solid state
  • room temperature
  • high resolution
  • molecular dynamics
  • molecular docking
  • mass spectrometry
  • case control
  • ion batteries