How Nonpolar CO2 Aggregates on Cycloalkenes
A Case Study with Cyclopentene-(CO2)1-3 Clusters
- authored by
- Juncheng Lei, Xiao Tian, Juan Wang, Sven Herbers, Meng Li, Tianyue Gao, Siyu Zou, Jens Uwe Grabow, Qian Gou
- Abstract
This study explores the molecular clusters of cyclopentene (CPE) with one to three CO2 molecules (CPE-(CO2)1-3) through their jet-cooled rotational spectra using Fourier transform microwave spectroscopy with supplementary quantum chemical calculations. The assembly of CPE-(CO2)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(CH2)···C═O hydrogen bonds. Critically, the dispersive forces play a pivotal role in stabilizing CO2 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.
- Organisation(s)
-
Institute of Physical Chemistry and Electrochemistry
- External Organisation(s)
-
Chongqing University
Chongqing Key Laboratory of Chemical Theory and Mechanism
- Type
- Article
- Journal
- Journal of Physical Chemistry Letters
- Volume
- 15
- Pages
- 7597-7602
- No. of pages
- 6
- ISSN
- 1948-7185
- Publication date
- 01.08.2024
- Publication status
- Published
- Peer reviewed
- Yes
- ASJC Scopus subject areas
- Materials Science(all), Physical and Theoretical Chemistry
- Sustainable Development Goals
- SDG 13 - Climate Action
- Electronic version(s)
-
https://doi.org/10.1021/acs.jpclett.4c01737 (Access:
Closed)
