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.

中文翻译：

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天空中分子的复杂舞蹈：环戊烯-CO2-H2O杂三元团簇中分子间结构和动力学的编排


这项研究深入探讨了异质三元簇形成背后的驱动力，该异质三元簇由工业或燃烧来源的挥发性有机化合物（特别是环戊烯）以及二氧化碳和水蒸气等温室气体组成。虽然在理解二元配合物方面已经取得了实质性进展，但异质三元簇的结构复杂性在很大程度上仍然未知。我们的研究利用傅里叶变换微波光谱表征了环戊烯-CO2-H2O 异三元簇。脉冲射流中观察到的异构体具有在环戊烯环上方排列的 CO2 和 H2O，其中水大约绕其 C2 对称轴进行内旋转。理论分析支持了这些观察结果，确定了该簇内的 O–H·π 氢键和次级 C·O 四键。这项研究标志着理解大气中挥发性有机化合物、温室气体和水的分子动力学和相互作用迈出了关键一步，为进一步研究它们在气候动力学和空气质量中的作用铺平了道路。