Microhydrated metal oxide clusters in the gas phase: structure, stability, reactivity (D01)

气相中的微水合金属氧化物簇：结构、稳定性、反应性 (D01)

• 批准号: 248450708
• 金额: --
• 依托单位: Fritz-Haber-Institut der Max-Planck-Gesellschaft (FHI)
• 依托单位国家: 德国
• 项目类别: Collaborative Research Centres
• 财政年份: 2014
• 资助国家: 德国
• 起止时间: 2013-12-31 至 2017-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/248450708?language=en
• 关键词: Microhydrated; metal; oxide; clusters; gas

This project is aimed at the experimental characterisation of the structure, stability and reactivity of mass-selected, bare and microhydrated Al-, Fe-, and Si-oxide containing clusters in the gas phase. The geo¬me-tric and electronic structures of cluster ions prepared at variable temperature are characterised using IR and UV/VIS photodissociation spectroscopy, complemented by stability and reactivity measurements. These experiments deliver benchmark data for testing computational models, allow specifying structure-reac¬tivity relations of isolated gas phase model systems, yield insight into the nature of nucleation precursors and allow evaluating the feasibility of extrapolating the gas phase data towards thin film, surface and bulk results.

该项目的目的是在实验表征的结构，稳定性和反应性的质量选择，裸露和微水合铝，铁，硅氧化物在气相中包含集群。采用IR和UV/维斯光解离光谱，辅以稳定性和反应性测量，对变温制备的团簇离子的几何结构和电子结构进行了表征。这些实验提供了用于测试计算模型的基准数据，允许指定孤立气相模型系统的结构-反应性关系，产生对成核前体性质的洞察，并允许评估将气相数据外推到薄膜、表面和本体结果的可行性。