An Isolable Silicon Dicarbonate Complex from Carbon Dioxide Activation with a Silylone

Area of Science:

• Organosilicon Chemistry
• Coordination Chemistry
• Carbon Dioxide Utilization

Background:

• Zero-valent silicon compounds are reactive intermediates.
• Carbon dioxide activation and functionalization is a key challenge in chemistry.

Purpose of the Study:

• To synthesize and characterize the first isolable molecular silicon dicarbonate complex.
• To investigate the reaction mechanism between a zero-valent silicon complex and carbon dioxide.

Main Methods:

• Reaction of a bis-N-heterocyclic carbene stabilized silylone with carbon dioxide.
• Single-crystal X-ray diffraction analysis.
• Quantum-chemical studies including electronic structure, spectroscopy, and thermochemistry.

Main Results:

• Successful synthesis of the isolable molecular silicon dicarbonate complex (bis-NHC)Si(CO3)2.
• Identification of a monomeric silicon dioxide complex as a key intermediate.
• Detailed characterization of the product and mechanistic insights.

Conclusions:

• The study presents a novel route to silicon dicarbonate complexes.
• The findings advance the understanding of silicon's reactivity with CO2.
• This work opens avenues for new organosilicon materials and CO2 conversion strategies.