Complex Dance of Molecules in the Sky

Choreography of Intermolecular Structure and Dynamics in the Cyclopentene−CO₂−H₂O Hetero Ternary Cluster

authored by

Xiao Tian, Juncheng Lei, Tianyue Gao, Siyu Zou, Xiujuan Wang, Meiyue Li, Chenxu Wang, Junhua Chen, Jens Uwe Grabow, Wolfgang Jäger, Qian Gou

Abstract

This study delves into driving forces behind the formation of a hetero ternary cluster consisting of volatile organic compounds from industrial or combustion sources, specifically cyclopentene, alongside greenhouse gases like carbon dioxide, and water vapor. While substantial progress has been made in understanding binary complexes, the structural intricacies of hetero ternary clusters remain largely uncharted. Our research characterized the cyclopentene−CO₂−H₂O hetero ternary cluster utilizing Fourier transform microwave spectroscopy. The observed isomer in the pulsed jet has CO₂ and H₂O aligning above the cyclopentene ring, with water undergoing an internal rotation approximately about its C₂ symmetry axis. Theoretical analyses support these observations, identifying an O−H⋅⋅⋅π hydrogen bond and a secondary C⋅⋅⋅O tetrel bond within this cluster. This study marks a critical step towards comprehending the molecular dynamics and interactions of VOCs, greenhouse gases, and water in the atmosphere, paving the way for further investigations into their roles in climate dynamics and air quality.

Organisation(s)

Institute of Physical Chemistry and Electrochemistry

External Organisation(s)

Chongqing University
Guiyang Medical College
University of Alberta

Type

Article

Journal

Angewandte Chemie - International Edition

Volume

63

No. of pages

6

ISSN

1433-7851

Publication date

17.11.2024

Publication status

Published

Peer reviewed

Yes

ASJC Scopus subject areas

Catalysis, General Chemistry

Sustainable Development Goals

SDG 13 - Climate Action

Electronic version(s)

https://doi.org/10.1002/anie.202412406 (Access: Closed)