Molecular Insights into CO₂ Clustering: Topologies and Driving Forces from Rotational Studies

Area of Science:

• Physical Chemistry
• Chemical Physics
• Spectroscopy

Background:

• Rising atmospheric carbon dioxide (CO2) levels drive global warming.
• Effective carbon capture technologies require understanding CO2 interactions at the molecular level.

Purpose of the Study:

• To review recent advances in rotational spectroscopic studies of CO2 aggregation.
• To elucidate the role of noncovalent interactions in CO2 clustering and solvation.

Main Methods:

• Survey of rotational spectroscopic studies on CO2 dimers, trimers, and subnanometer clusters.
• Analysis of tetrel and hydrogen bonding interactions in CO2 aggregation.

Main Results:

• Rotational spectroscopy provides insights into CO2 aggregation from small clusters to larger assemblies.
• Identified key noncovalent interactions governing CO2 behavior, especially in supercritical conditions.
• Demonstrated the link between molecular interactions and condensed-phase phenomena.

Conclusions:

• Rotational spectroscopy is a powerful tool for understanding CO2 aggregation.
• Findings can guide the design of advanced CO2 capture materials.
• This research supports optimization of carbon capture and utilization processes.