The boron-transition-metal triple-bond complexes FB≡MF (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≡MF molecule features very high B-F stretching frequencies at 1586.6 cm (Ir), 1526.6 cm (Os), 1505.5 cm (Re), and 1453.2 cm (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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