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High-Resolution Solid-State NMR in St Andrews: Development and Applications

圣安德鲁斯高分辨率固态核磁共振：开发和应用

基本信息

批准号：
EP/E041825/1
负责人：
Sharon Ashbrook
金额：
$ 157.5万
依托单位：
University of St Andrews
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2008
资助国家：
英国
起止时间：
2008 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FE041825%2F1
关键词：
Resolution Solid State NMR St

项目摘要

The proposal aims to provide modern equipment in St Andrews which will enable the development of new Nuclear Magnetic Resonance (NMR) experiments to provide insight into structure of solids. NMR spectroscopy utilises the inherent magnetism of atomic nuclei to probe the local structural and dynamic environment of a material. However, for solids the orientational dependence of many of the interactions which affect NMR spectra (and which are averaged in liquids by rapid molecular tumbling) results in large broadenings and uninformative spectra. Much work has focussed on the removal of this broadening through techniques such as magic-angle spinning (MAS) and multiple-quantum MAS (MQMAS). Recent improvements in magnet technology, hardware and methodological development have advanced solid-state NMR to the stage where it can now be employed to provide detailed information on chemically-complex systems of industrial, biological and geological relevance.We aim to use the new equipment to develop new experiments and improve existing techniques to acquire both high-resolution spectra, and provide structural information through experiments which correlate different nuclei (demonstrating, for example, the spatial proximity of two species or providing information on the nature of their chemical bonding). This type of information is a crucial step in linking the atomic scale structure of a material to its macroscopic properties. Furthermore, we will widen the applicability of these approaches to the more challenging and unusual nuclei present in many materials of industrial and commercial interest. These include nuclei with low sensitivity (89Y, 39K), low natural abundances (17O, 25Mg), long relaxation times (89Y), and larger quadrupolar couplings (45Sc, 71Ga, 93Nb) in materials where structural disorder, significant dynamic behaviour, or the presence of paramagnetic ions, for example, are a problem. The use of modern probe hardware and increased magnetic field strength will be crucial in achieving these goals.We will utilise these state-of-the-art experiments in a range of areas including 17O and 25Mg NMR of the high-pressure silicate minerals in the inner layers of the Earth, where NMR sensitivity is limited by the small amount of sample produced (typically 3-15 mg) in the high-pressure synthesis. Also we will study the local structure and ordering by 89Y, 17O and 119Sn NMR in pyrochlore ceramic materials, which have been proposed as host phases for the encapsulation and long-term storage of nuclear waste. A further area of interest is the characterisation of the local structure and geometry of microporous framework materials (through 27Al, 31P, 45Sc and 71Ga NMR), which have applications as catalysts and gas storage media.

该提案旨在为圣安德鲁斯提供现代化的设备，从而能够开发新的核磁共振（NMR）实验，以深入了解固体结构。NMR光谱利用原子核的固有磁性来探测材料的局部结构和动态环境。然而，对于固体的取向依赖的许多相互作用，影响NMR光谱（和平均在液体中的快速分子翻滚）的结果在大加宽和无信息的光谱。许多工作都集中在通过魔角自旋（MAS）和多量子MAS（MQMAS）等技术消除这种加宽。近年来，随着磁体技术、硬件和方法学的发展，固态核磁共振技术已经发展到可以提供工业、生物和地质相关的化学复杂系统的详细信息的阶段。我们的目标是利用新设备开发新的实验，并改进现有技术，以获得高分辨率的光谱，并通过关联不同原子核的实验提供结构信息（例如，证明两种物质的空间接近性或提供关于其化学键合性质的信息）。这种类型的信息是将材料的原子尺度结构与其宏观性质联系起来的关键一步。此外，我们将扩大这些方法的适用性，以更具挑战性和不寻常的核目前在许多材料的工业和商业利益。这些包括低灵敏度（89 Y，39 K），低天然丰度（17 O，25 Mg），长弛豫时间（89 Y）和较大的四极耦合（45 Sc，71 Ga，93 Nb）的核，其中结构无序，显着的动态行为或顺磁性离子的存在是一个问题。我们将在一系列领域利用这些最先进的实验，包括地球内层高压硅酸盐矿物的17 O和25 Mg NMR，其中NMR灵敏度受到高压合成中产生的少量样品（通常为3-15 mg）的限制。此外，我们将研究的本地结构和有序的89 Y，17 O和119 Sn核磁共振烧绿石陶瓷材料，已被提议作为主机相的封装和长期存储的核废料。另一个感兴趣的领域是微孔骨架材料的局部结构和几何形状的表征（通过27 Al、31 P、45 Sc和71 Ga NMR），其具有作为催化剂和气体储存介质的应用。