CO, CO₂ and CS₂ activation by divalent ytterbium hydrido complexes

Area of Science:

• Organometallic Chemistry
• Inorganic Chemistry
• Coordination Chemistry

Background:

• Ytterbium complexes are valuable in catalysis and materials science.
• Understanding the reactivity of low-valent lanthanide complexes is crucial for developing new synthetic methodologies.

Purpose of the Study:

• To investigate the reactivity of a divalent ytterbium hydride complex with small carbon-containing molecules.
• To synthesize and characterize novel ytterbium complexes derived from reactions with CO, CO2, and CS2.
• To elucidate reaction mechanisms using computational methods.

Main Methods:

• Synthesis and characterization of ytterbium complexes.
• Reactions of a divalent ytterbium hydride complex with carbon monoxide (CO), carbon dioxide (CO2), and carbon disulfide (CS2).
• Density Functional Theory (DFT) calculations to study reaction pathways.

Main Results:

• Formation of a divalent ytterbium ethenediolate complex from reaction with CO.
• Synthesis of a formate complex from reaction with CO2.
• Generation of a trivalent ytterbium ethenetetrathiolate complex from reaction with CS2.

Conclusions:

• The divalent ytterbium hydride complex exhibits diverse reactivity towards CO, CO2, and CS2.
• Novel organometallic complexes of ytterbium were successfully synthesized.
• DFT calculations provide insights into the reaction mechanisms.