基于IR-VUV光谱方法探讨含氮类星际分子团簇的结构及团簇内离子-分子反应动力学过程

太空中含氮类星际有机分子被称为“生命之花”。在分子水平上揭示这些星际分子的形成和演化过程，有助于揭示生命起源的奥秘。本项目拟结合脉冲阀和拉瓦尔（LAVAL）喷嘴技术，设计加工一套特殊的超声射流装置即CRESU，营造出类似太空的内能均一、低温的气体环境，并制备出气相团簇。项目拟采用基于真空紫外(VUV)单光子电离、可调谐红外激光(IR)、飞行时间质谱技术相结合的IR-VUV光谱技术以及质量门筛选的串级质谱红外多光子解离（IR-MPD）光谱技术，实现对特定尺寸的星际分子中性团簇及离子复合物红外光谱的精准测量。结合高水平理论计算，对中性团簇及其团簇离子的分子结构进行深入分析和确认；探讨团簇在真空紫外单光子电离诱导下发生的团簇内离子-分子反应路径和动力学机理，试图获得星际有机小分子发生团簇内离子分子反应后聚合形成生物分子的光谱学证据。本项目拟将氨腈、乙酰胺、氨基乙腈、丙烯腈等星际分子作为模型分子。

N-containing interstellar medium molecules （ISM） in planetary atmospheres has been called as “Flower of Life”. It is helpful to understand the mystery of arohebiont by discover the process of formation and evolution of ISM in the space. In present proposal, we will build a special device to generate a supersonic jet, called as CRESU, by combining the pulse valve and the LAVAL nozzle. Gas phase clusters can be generated by using this device. We can also model the space environment as possible as we can in the laboratory such as low temperature, energetic uniform etc. In this project, we plan to use state of the art spectroscopy by combining VUV single photon ionization, tunable IR lasers and time of flight mass spectrometry and IR multiphoton dissociation (IR-MPD) spectroscopy equipped tandem-mass gated technique. With these approaches, it can be realized to measure IR spectra precisely of the specific-size clusters and its ionic complexes of ISM. By combining high level theoretical calculations, structures of these clusters neutral and ionic complexes can be identified accurately and investigate in-depth. Moreover, we can explore the ion-molecule reaction dynamics occurring in the clusters such as reaction pathways and dissociation process, try to obtain spectroscopic evidences of the generation of new bio-molecules via the monomer aggregation in the clusters. Herein, the N-containing interstellar medium molecules such as cyanamide, acetamide, aminoacetonitrile and acrylonitrile are used as the model molecules.