Deciphering the Role of Vinylene Carbonate in Shaping CO2 Cluster Growth and Stability via Wavelet-Enhanced Microwave Spectroscopy

This study presents the first integration of wavelet denoising with resonator-enhanced microwave spectroscopy to explore the formation and characteristics of gas-phase heterogeneous vinylene carbonate-(CO2)1-5 clusters. Through this innovative approach, faint spectral lines were detected with efficiency, enhancing our understanding of complex interaction patterns that govern the growth and stability of these molecular clusters. It was found that CO2 aggregates preferentially around the vinylene carbonate molecule through C···O tetrel bonds at the carbonyl and ether groups, altering the typical self-aggregation topology of free CO2 clusters. This leads to more symmetrical growth around the vinylene carbonate monomer. Our findings provide insights into the solvation mechanisms of compounds in supercritical CO2 thereby advancing the understanding of subnanoscale CO2 aggregation patterns.