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

本项目旨在对气相中质量选择的、裸露的和微水合的Al-、Fe-和Si-氧化物团簇的结构、稳定性和反应活性进行实验表征。用IR和UV/Vis光解离光谱表征了在变温条件下制备的团簇离子的几何结构和电子结构，并辅以稳定性和反应性测量。这些实验提供了测试计算模型的基准数据，允许指定孤立的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、表面和整体结果的可行性。

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.