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Updated: Jan 19, 2026

Author Spotlight: Functionalizing Metal-Organic Frameworks: Advancements, Challenges, and the Power of Post-Synthetic Ligand Exchange
Published on: June 23, 2023
Boron-Transition-Metal Triple-Bond FB≡MF2 Complexes
Bing Xu1, Wenjing Li1, Wenjie Yu1
1School of Chemical Science and Engineering, Shanghai Key Lab of Chemical Assessment and Sustainability , Tongji University , Shanghai , 200092 , China.
Abstract:
The boron-transition-metal triple-bond complexes FB≡MF2 (M= Ir, Os, Re, W, Ta) were trapped in excess solid neon and argon through metal atom reactions with boron trifluoride and identified by matrix isolation infrared spectroscopy and quantum chemical calculations. The FB≡MF2 molecule features very high 11B-F stretching frequencies at 1586.6 cm-1 (Ir), 1526.6 cm-1 (Os), 1505.5 cm-1 (Re), and 1453.2 cm-1 (W), respectively. The very high strength of B≡M bonds with triple-bonding character is confirmed by EDA-NOCV calculations and the active molecular orbital and NBO analysis. The experimental observation of FB stabilization by heavy transition-metal atoms with triple bonds opens the door to design new boron-transition-metal complexes.
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