高分辨转动光谱研究异戊二烯化学微观机理

植物源异戊二烯对大气碳源贡献仅次于甲烷，且反应活性高，对区域空气质量和全球气候有广泛影响。异戊二烯化学非常复杂，准确的描述其氧化反应机制是衡量全局影响的前提。本项目针对异戊二烯化学，通过结合直流放电、快速混合及超声射流冷却等技术，在线制备异戊二烯化学相应预反应复合物及活性中间体，采用傅里叶变换微波光谱研究目标分子体系的高分辨转动光谱，从分子结构和能量上研究构象行为及非共价相互作用等信息，揭示异戊二烯氧化反应微观机理以及大气常见水分子对氧化反应的影响机制，为异戊二烯化学大气监测及建立精确的化学模型提供新思路。

Isoprene produced by plants, is the most abundant non-methane hydrocarbon released into the atmosphere, which has an important impact, due to its highly activity, on local air quality and global climate. Quantification of the global impacts of isoprene chemistry requires, at minimum, an accurate description of the oxidation mechanisms. In this project, with the combination of DC discharge, fast mixing and supersonic jet cooling techniques, isoprene oxidation products and corresponding pre reaction molecular complexes will be produced on-line. High-resolution rotational spectra of the target molecule and complexes will be investigated by Fourier transform microwave spectroscopy, structurally and energetically charactering the non covalent interactions. The reaction pathway of isoprene oxidation by different active oxidants and the influence mechanism of water molecules in atmosphere will be evaluated, which would provide a new idea for isoprene chemical atmospheric monitoring and establishing a more accurate chemical model.