Inorganic Chemistry, Vol.58, No.19, 13418-13425, 2019
Boron-Transition-Metal Triple-Bond FB MF2 Complexes
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 B-11-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.