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Direct Elucidation of the Gas Adsorption Behaviour of Metal-Organic Frameworks (MOFs) by In-situ Single Crystal X-ray Diffraction

通过原位单晶 X 射线衍射直接阐明金属有机框架 (MOF) 的气体吸附行为

基本信息

批准号：
2297276
负责人：
金额：
--
依托单位：
University of Manchester
依托单位国家：
英国
项目类别：
Studentship
财政年份：
2019
资助国家：
英国
起止时间：
2019 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=studentship-2297276
关键词：
Direct Elucidation Gas Adsorption Behaviour

项目摘要

Metal-organic frameworks (MOFs) form the largest group of crystalline nanoporous material that has been receiving global research attention, as evidenced by the several thousand MOFs reported within the ca. 21000 research papers produced over the past 20 years. MOFs have huge potential for a wide variety of applications including gas storage and separation technologies and are being sold as commercial products for gas storage/ release applications of highly toxic gases, for example, PH3, and in a controlled release product that prevents fruit ripening.MOFs exhibit a range of exciting gas adsorption phenomena including hysteresis, and stepped and gated adsorption when gases such as nitrogen, carbon dioxide, methane, hydrogen disulphide are adsorbed. These phenomena are often facilitated by framework structural changes. Gas adsorption and other data have demonstrated the existence of these gas adsorption phenomena and computational modelling has provided some predicative insight into the structural mechanism of their action. However, few experimentally determined crystal structures exist for these materials during these adsorption behaviours which prevent critical comprehension of these novel behaviours.This project aims to determine the gas adsorption behaviour of certain rigid and flexible framework MOFs by experimentally determining the crystal structures of the MOFs during single crystal-to-single crystal transitions instigated by different loadings of a diverse variety of industrially relevant gases at various temperatures and pressures.The project will involve the synthesis of known or modified MOFs in single crystal form, characterisation including single crystal and powder X-ray diffraction, scanning electron microscopy, gas adsorption measurements and other associated spectroscopic techniques. Particular emphasis of the project will be on using in-situ single crystal X-ray crystallography to obtain the crystal structures of gas loaded MOFs using state-of-the art single crystal X-ray diffractometers and a capillary gas cell (operating temperature range 100 - 500 K, pressure range 0 - 15 bar).Success of the project will enable experimental determination of the actual mechanisms for these adsorption processes that will be highly attractive to the academic and industrial communities and, through greater understanding, will enable enhanced design of future multifunctional nanoporous materials.

金属有机框架（mof）是目前全球研究关注的最大的晶体纳米多孔材料，在过去20年里发表的约21000篇研究论文中，有数千篇mof被报道。mof具有广泛应用的巨大潜力，包括气体储存和分离技术，并且正在作为商业产品出售，用于高毒性气体（例如PH3）的气体储存/释放应用，以及用于防止水果成熟的可控释放产品。mof在吸附氮气、二氧化碳、甲烷、二硫化氢等气体时，表现出一系列令人兴奋的气体吸附现象，包括滞后、阶梯吸附和门控吸附。这些现象往往是由框架结构变化促成的。气体吸附和其他数据证明了这些气体吸附现象的存在，计算模型为其作用的结构机制提供了一些预测性的见解。然而，在这些吸附行为中，很少有实验确定的这些材料的晶体结构存在，这阻碍了对这些新行为的关键理解。本项目旨在通过实验确定mof在单晶到单晶转变过程中的晶体结构，从而确定某些刚性和柔性框架mof的气体吸附行为，这种转变是由各种工业相关气体在不同温度和压力下的不同负载引起的。该项目将涉及单晶形式的已知或改性mof的合成，包括单晶和粉末x射线衍射，扫描电子显微镜，气体吸附测量和其他相关光谱技术的表征。该项目将特别强调使用原位单晶x射线晶体学，使用最先进的单晶x射线衍射仪和毛细管气池（工作温度范围100 - 500 K，压力范围0 - 15 bar）获得气体负载mof的晶体结构。该项目的成功将使实验确定这些吸附过程的实际机制，这将对学术界和工业界极具吸引力，并且通过更深入的了解，将使未来多功能纳米多孔材料的设计得到加强。