An integrated, multi-dimensional in-operando Reaction Monitoring Facility for Homogeneous Catalysis Research

用于均相催化研究的集成、多维操作中反应监测设施

• 批准号: EP/P001475/1
• 负责人: Matthew Davidson
• 金额: $ 86.33万
• 依托单位: University of Bath
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2016
• 资助国家: 英国
• 起止时间: 2016 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FP001475%2F1
• 关键词: integrated; multi; dimensional; operando; Reaction

Our society is highly dependent on catalytic science which is central to major global challenges such as efficient conversion of energy, mitigation of greenhouse gases, destroying pollutants in the atmosphere and in water, and processing biomass which all rely intrinsically on catalysis. In addition, catalysis is a key technology for the chemical industry; it is estimated that catalytic science contributes to 90% of chemical manufacturing processes. Chemistry-using industries are is a major component of the UK's manufacturing output and vital part of the overall UK economy, generating in excess of £50 billion per annum. The ONS Annual Business Survey (2012) estimated chemical and pharma manufacturing to be worth £19 billion p.a. and predicted that by 2030, the UK chemical industry will have enabled the chemistry-using industries to increase their Gross Value Added contribution to the UK economy by 50%, from £195 billion to £300 billion. Understanding how catalyst work is notoriously difficult because of the low concentrations and transient nature of catalytically active species. In this project will develop new equipment based on state-of-the-art flow NMR methods that will enable the rapid development of new catalysts for academic research and industrial processes. Crucially the equipment we propose will allow high sensitivity and real-time monitoring of catalytic reactions under a wide range of realistic reaction conditions (e.g., concentrations, temperatures and pressures). This will provide a unique facility to study the scope, productivity, selectivity and deactivation of catalysts, which in turn will provide insight into mechanisms and allow us to develop new catalytic systems.The equipment will be utilized by academic and industrial scientists and engineers at the University of Bath and throughout the UK to understand and develop catalysts for a wide range of processes of academic and industrial relevance. Areas that will benefit from the equipment will include; catalysts for renewable polymers, catalysts for utilisation and valorisation of biomass, catalysts for sustainable energy, and catalysts for sustainable synthesis of pharmaceuticals and fine chemicals. The progress that will be enabled by the equipment will be exploited, particularly within the pharma and fine chemicals sectors, through collaboration with a wide variety of UK catalyst companies and chemical producers.

我们的社会高度依赖催化科学，而催化科学对于能源的有效转化、减少温室气体排放、破坏大气和水中的污染物以及处理生物质等重大全球挑战至关重要，而这些挑战本质上都依赖于催化。此外，催化是化学工业的一项关键技术；据估计，催化科学贡献了90%的化学制造过程。化学工业是英国制造业产出的主要组成部分，也是英国整体经济的重要组成部分，每年产生超过500亿英镑的收入。英国国家统计局年度商业调查（2012）估计，化学和制药制造业每年的价值为190亿英镑，并预测到2030年，英国化学工业将使化学使用行业对英国经济的总增加值贡献增加50%，从1950亿英镑增加到3000亿英镑。众所周知，了解催化剂的工作原理是非常困难的，因为催化活性物质的浓度很低，而且具有短暂性。在这个项目中，将开发基于最先进的流动核磁共振方法的新设备，这将使学术研究和工业过程的新催化剂的快速发展成为可能。至关重要的是，我们提出的设备将允许在广泛的实际反应条件下（例如，浓度，温度和压力）对催化反应进行高灵敏度和实时监测。这将为研究催化剂的范围、生产力、选择性和失活提供一个独特的设施，这反过来将提供对机制的洞察，并使我们能够开发新的催化系统。该设备将被巴斯大学和整个英国的学术和工业科学家和工程师使用，以了解和开发广泛的学术和工业相关过程的催化剂。受益于该设备的领域包括：可再生聚合物催化剂，生物质利用和增值催化剂，可持续能源催化剂，药物和精细化学品可持续合成催化剂。通过与各种英国催化剂公司和化学品生产商的合作，将利用该设备所带来的进步，特别是在制药和精细化学品领域。

项目成果

Understanding Rh-catalysed Hydroformylation with Phosphite Ligands through Catalyst Speciation Analysis by Operando FlowNMR Spectroscopy

通过 Operando FlowNMR 波谱法进行催化剂形态分析，了解亚磷酸酯配体的 Rh 催化加氢甲酰化反应

• DOI: 10.1002/cctc.202201204
• 发表时间: 2023
• 期刊: ChemCatChem
• 影响因子: 4.5
• 作者: Bara-Estaún A

Paramagnetic Relaxation Agents for Enhancing Temporal Resolution and Sensitivity in Multinuclear FlowNMR Spectroscopy

• DOI: 10.1002/chem.202300215
• 发表时间: 2023-05-17
• 期刊: CHEMISTRY-A EUROPEAN JOURNAL
• 影响因子: 4.3
• 作者: Bara-Estaun, Alejandro;Harder, Marie C.;Hintermair, Ulrich
• 通讯作者: Hintermair, Ulrich

Convenient and accurate insight into solution-phase equilibria from FlowNMR titrations

通过 FlowNMR 滴定方便、准确地了解溶液相平衡

• DOI: 10.1039/d2re00123c
• 发表时间: 2022
• 期刊: Reaction Chemistry & Engineering
• 影响因子: 3.9
• 作者: Berry D

Mapping catalyst activation, turnover speciation and deactivation in Rh/PPh 3 -catalysed olefin hydroformylation

绘制 Rh/PPh 3 催化烯烃加氢甲酰化中催化剂活化、周转形态和失活的图谱

• DOI: 10.1039/d2cy00312k
• 发表时间: 2022
• 期刊: Catalysis Science & Technology
• 影响因子: 5
• 作者: Bara-Estaún A

Online monitoring of a photocatalytic reaction by real-time high resolution FlowNMR spectroscopy.

通过实时高分辨率 FlowNMR 光谱在线监测光催化反应。

• DOI: 10.1039/c7cc07059d
• 发表时间: 2017
• 期刊: Chemical communications (Cambridge, England)
• 作者: Hall AMR