How Nonpolar CO₂ Aggregates on Cycloalkenes: A Case Study with Cyclopentene-(CO₂)_1–3 Clusters

Abstract

This study explores the molecular clusters of cyclopentene (CPE) with one to three CO 2 molecules (CPE-(CO 2 ) 1−3 ) through their jet-cooled rotational spectra using Fourier transform microwave spectroscopy with supplementary quantum chemical calculations. The assembly of CPE-(CO 2 ) 1−3 clusters is predominantly driven by tetrel bonding networks, notably C•••π(C� C) and C•••O interactions, with additional stabilization from weak C� H(CH 2 )•••C�O hydrogen bonds. Critically, the dispersive forces play a pivotal role in stabilizing CO 2 aggregation on CPE, eclipsing the effects of electrostatic and orbital interactions. This highlights the complex balance of forces that govern the formation and stabilization of these molecular clusters. Our findings offer precise insights into noncovalent interactions that could enhance atmospheric chemistry models and sustain climate science through informed environmental chemistry strategies.