院士大讲堂
报告题目：Conformational Diversity and Hydration of Atmospherically Relevant Molecules Studied by Rotational Spectroscopy
报告时间：2026-07-24 10:45
报告人： Prof. Wolfgang Jäger
University of Alberta, Canada
报告地点：卢嘉锡楼202报告厅
转播地点：翔安校区能源材料大楼3号楼会议室3，漳州校区生化主楼307教室
报告摘要：
Biogenic molecules of atmospheric relevance, such as monoterpenes, often exhibit rich conformational diversity that may affect their reactivity and their role in aerosol particle formation. Microwave rotational spectroscopy is particularly well suited, especially in combination with electronic structure calculations, to determine the structures and relative energies of conformers and to evaluate the barriers to conformational interconversion. The study of carveol, a biogenic monoterpene and atmospheric oxidation product of limonene, will be discussed as an example.
The conformational diversity becomes even more complex upon hydration, and microwave spectroscopy makes it possible to follow the hydration pathway one water molecule at a time. Hydration clusters often consist of a droplet-like water subcluster attached to a molecule via a canonical hydrogen bond. In the study of 4-methylcatechol-(H2O)N (N = 1–5), we show that at N = 2 the water molecules begin to interact with the aromatic ring, favouring a wetting pathway over a droplet-like mode of hydration.
Hydration of pure hydrocarbons is energetically much less favourable, but may nevertheless play a role in atmospheric processes. A rotational spectroscopy study of the α-pinene–H2O complex will be presented, and its atmospheric significance with respect to the ozonolysis of α-pinene will be discussed.
报告人简介：
Wolfgang Jäger received his PhD degree in Chemistry from the Christian-Albrechts University in Kiel, Germany, in 1989. He joined the Department of Chemistry at the University of Alberta, Edmonton, Canada, in 1995 after spending time as postdoctoral fellow and research associate at the University of British Columbia, Vancouver, Canada. He was promoted to Associate Professor in 2001 and to the rank of Full Professor in 2003.
Professor Jäger’s research includes fundamental studies of intermolecular interactions using spectroscopic investigations of weakly bound complexes and clusters, development of atmospheric trace gas sensing techniques that utilize solid state infrared diode lasers, and photoreaction chamber studies of aerosol formation.
For his scientific achievements, Professor Jäger was awarded the NSERC Steacie Memorial Fellowship in 2002, in 2004 he became a Tier I Canada Research Chair in Cluster Science which was renewed in 2011, and in 2008 he was elected Fellow of the Royal Society of Canada. From 2009 to 2010, he spent a sabbatical year at the Fritz Haber Institute of the Max Planck Society in Berlin, Germany, which was funded by a Humboldt Fellowship.
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