Experimental and theoretical studies on the mechanistic behaviour of catalytic-relevant metal complexes in ionic liquids

离子液体中催化相关金属配合物机械行为的实验和理论研究

• 批准号: 29242261
• 负责人: Professor Dr. Rudi van Eldik
• 金额: --
• 依托单位: Lehrstuhl für Anorganische und Metallorganische Chemie
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2006
• 资助国家: 德国
• 起止时间: 2005-12-31 至 2010-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/29242261?language=en
• 关键词: Experimental; theoretical; studies; mechanistic; behaviour

It is the objective of the proposal to perform experimental and theoretical studies on the fundamental influence of ionic liquids on the mechanistic behavior of transition metal complexes in reactions that involve fast ligand substitution, activation of small molecules such as O2, CO2, H2 and NO, and electron transfer processes. Low viscosity ionic liquids will be employed to enable stopped-flow measurements at ambient and high pressure in the millisecond time range, which will be supplemented by flash photolysis and pulse radiolysis measurements where required. The experimental work will be accompanied y theoretical (DFT) calculations and predictions where possible. The combined studies will to lead to the elucidation of the role of the ionic liquid in the investigated reaction systems.

该提案的目标是在涉及快速配体取代、O2、CO2、H2和NO等小分子的激活以及电子转移过程的反应中，对离子液体对过渡金属络合物的机理行为的基本影响进行实验和理论研究。将使用低粘度离子液体在毫秒时间范围内实现常压和高压下的停流测量，并在需要时补充闪光光解和脉冲辐解测量。实验工作将伴随着理论(DFT)计算和预测，如果可能的话。这些联合研究将有助于阐明离子液体在所研究的反应体系中的作用。