Scandium-Terminal Boronylphosphinidene Complex

Area of Science:

• Organometallic Chemistry
• Main Group Chemistry

Background:

• Rare-earth metal-terminal imido complexes were reported in 2010.
• Rare-earth metal-terminal phosphinidene complexes have not yet been synthesized.

Purpose of the Study:

• To report the synthesis and structural characterization of the first rare-earth-terminal phosphinidene complex.
• To investigate the electronic structure and bonding properties of the new complex.

Main Methods:

• Synthesis of scandium boronylphosphinidene complex.
• Single-crystal X-ray diffraction for structural analysis.
• Density Functional Theory (DFT) calculations for electronic structure analysis.

Main Results:

• The first rare-earth-terminal phosphinidene complex, a scandium boronylphosphinidene, was successfully synthesized and characterized.
• The scandium-phosphorus (Sc-P) bond length is significantly shorter (2.381(1) Å) compared to a related phosphido complex (2.564(1) Å).
• DFT calculations revealed a strong Sc-P π interaction, contrasting with the weak interaction in the phosphido complex.
• Preliminary reactivity studies showed the complex functions as a nucleophilic phosphinidene.

Conclusions:

• This work establishes the first rare-earth-terminal phosphinidene complex.
• The strong Sc-P π interaction is key to the complex's stability and reactivity.
• The complex exhibits nucleophilic phosphinidene behavior, opening avenues for new chemical transformations.