Boron-Transition-Metal Triple-Bond FB≡MF₂ Complexes.

Area of Science:

• Inorganic Chemistry
• Organometallic Chemistry
• Spectroscopy
• Computational Chemistry

Background:

• Boron-transition metal complexes are of interest due to their unique bonding.
• Previous studies have explored various bonding motifs in these systems.

Purpose of the Study:

• To synthesize and characterize novel boron-transition metal triple-bond complexes.
• To investigate the electronic structure and bonding characteristics of these complexes.

Main Methods:

• Matrix isolation infrared spectroscopy was used to identify the synthesized complexes.
• Metal atom reactions with boron trifluoride were employed for synthesis.
• Quantum chemical calculations, including EDA-NOCV and NBO analysis, were performed.

Main Results:

• The FB≡MF2 (M= Ir, Os, Re, W, Ta) complexes were successfully synthesized and trapped.
• High 11B-F stretching frequencies (e.g., 1586.6 cm-1 for Ir) indicate strong B-F bonds.
• Calculations confirmed the triple-bonding character of the B≡M bonds and their high strength.

Conclusions:

• The experimental observation of stabilized FB units by heavy transition metals with triple bonds is significant.
• This work opens avenues for designing new boron-transition metal complexes with tunable properties.