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Complex Dance of Molecules in the Sky: Choreography of Intermolecular Structure and Dynamics in the Cyclopentene−CO2−H2O Hetero Ternary Cluster

Research output: Contribution to journalArticleResearchpeer review

Authors

  • Xiao Tian
  • Juncheng Lei
  • Tianyue Gao
  • Siyu Zou
  • Jens Uwe Grabow

External Research Organisations

  • Chongqing University
  • Guiyang Medical College
  • University of Alberta

Details

Original languageEnglish
Article numbere202412406
Number of pages6
JournalAngewandte Chemie - International Edition
Volume63
Issue number48
Early online date22 Aug 2024
Publication statusPublished - 17 Nov 2024

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.

Keywords

    cyclopentene, Fourier transform microwave spectroscopy, hetero ternary cluster, rotational spectroscopy, volatile organic compounds

ASJC Scopus subject areas

Sustainable Development Goals

Cite this

Complex Dance of Molecules in the Sky: Choreography of Intermolecular Structure and Dynamics in the Cyclopentene−CO2−H2O Hetero Ternary Cluster. / Tian, Xiao; Lei, Juncheng; Gao, Tianyue et al.
In: Angewandte Chemie - International Edition, Vol. 63, No. 48, e202412406, 17.11.2024.

Research output: Contribution to journalArticleResearchpeer review

Tian, X., Lei, J., Gao, T., Zou, S., Wang, X., Li, M., Wang, C., Chen, J., Grabow, J. U., Jäger, W., & Gou, Q. (2024). Complex Dance of Molecules in the Sky: Choreography of Intermolecular Structure and Dynamics in the Cyclopentene−CO2−H2O Hetero Ternary Cluster. Angewandte Chemie - International Edition, 63(48), Article e202412406. https://doi.org/10.1002/anie.202412406
Tian X, Lei J, Gao T, Zou S, Wang X, Li M et al. Complex Dance of Molecules in the Sky: Choreography of Intermolecular Structure and Dynamics in the Cyclopentene−CO2−H2O Hetero Ternary Cluster. Angewandte Chemie - International Edition. 2024 Nov 17;63(48):e202412406. Epub 2024 Aug 22. doi: 10.1002/anie.202412406
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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.",
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