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

该项目旨在通过实验表征大量选择的、裸露的和微水合的Al-、Fe-和si -氧化物在气相中的结构、稳定性和反应性。利用红外和紫外/可见光解光谱，并辅以稳定性和反应性测量，表征了在可变温度下制备的簇离子的地理和电子结构。这些实验为测试计算模型提供了基准数据，允许指定孤立气相模型系统的结构-反应性关系，深入了解成核前体的性质，并允许评估将气相数据外推到薄膜，表面和体结果的可行性。

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.