A regionally strategic NMR spectrometer with globally unique high pressure and reaction monitoring capability

具有全球独特的高压和反应监测能力的区域战略核磁共振波谱仪

• 批准号: EP/V007580/1
• 负责人: Ralph Adams
• 金额: $ 216.39万
• 依托单位: University of Manchester
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FV007580%2F1
• 关键词: regionally; strategic; NMR; spectrometer; globally

Nuclear magnetic resonance (NMR) spectroscopy is one of the most useful methods for studying the structures and behaviours of molecules, and is of critical importance both in understanding the world around us and in developing new technologies. It is a powerful tool for determining the structures of pure compounds, the characteristics and composition of materials, and for monitoring chemical reactions.Chemists, and materials and life scientists, fight a continual battle to extract qualitative and quantitative information from the increasingly complex fruits of their research. The utility of NMR spectrometers has made them ubiquitous in chemistry departments. However, as more and more complex problems are tackled, extracting the chemical information needed is becoming increasingly difficult with standard NMR instrumentation. Many spectra are either too complex to analyse, with too many overlapped signals, or have signal strengths below the detection limit. A new high sensitivity, high resolution NMR spectrometer is urgently needed in Manchester to support advances in the physical sciences. The instrument will operate at a 1H frequency of 700 MHz, giving very high resolution, and will be equipped with a liquid helium-cooled probe, giving very high sensitivity and a low limit of detection for liquid samples. It will also have the capability to study a wide range of nuclei in the solid state. The spectrometer will be integratable into a high pressure system that flows chemical reaction mixtures through the instrument, allowing reactant and product concentrations to be measured in real time and providing unique access to information about high pressure reaction behaviour. The instrument will underpin a broad range of research areas including Catalysis, Chemical Reaction Dynamics and Mechanisms, Synthetic Organic Chemistry, Synthetic Supramolecular Chemistry, Polymer Materials, Energy Storage, Functional Ceramics and Inorganics, Nuclear Fission, Synthetic Coordination Chemistry, Synthetic Biology, and Chemical Biology and Biological Chemistry. The proposed spectrometer will provide regionally strategic capabilities - high sensitivity and high resolution, optimised for chemical applications - and underpin and complement EPSRC facilities and high field NMR instrumentation nationally.

核磁共振（NMR）波谱是研究分子结构和行为最有用的方法之一，在了解我们周围的世界和开发新技术方面都具有至关重要的意义。它是测定纯化合物的结构、材料的特性和组成以及监测化学反应的有力工具。化学家、材料学家和生命科学家不断地从他们日益复杂的研究成果中提取定性和定量的信息。核磁共振谱仪的应用使其在化学部门无处不在。然而，随着越来越多复杂的问题被解决，用标准的核磁共振仪器提取所需的化学信息变得越来越困难。许多光谱要么太复杂而无法分析，要么有太多重叠的信号，要么信号强度低于检测极限。曼彻斯特迫切需要一种新的高灵敏度，高分辨率核磁共振光谱仪来支持物理科学的进步。该仪器将在700 MHz的1H频率下工作，提供非常高的分辨率，并将配备液氦冷却探头，提供非常高的灵敏度和对液体样品的低检测限。它还将具有研究固态核的广泛能力。该光谱仪将集成到高压系统中，该系统使化学反应混合物流过仪器，允许实时测量反应物和产物浓度，并提供有关高压反应行为的独特信息。该仪器将支持广泛的研究领域，包括催化，化学反应动力学和机制，合成有机化学，合成超分子化学，高分子材料，储能，功能陶瓷和无机物，核裂变，合成配位化学，合成生物学，化学生物学和生物化学。拟议的光谱仪将提供区域战略能力——高灵敏度和高分辨率，为化学应用进行优化——并支持和补充EPSRC设施和全国高场核磁共振仪器。

项目成果

Recovering sensitivity lost through convection in pure shift NMR

恢复纯位移 NMR 中因对流而损失的灵敏度

• DOI: 10.1039/d3cc04112c
• 发表时间: 2023
• 期刊: Chemical Communications
• 影响因子: 4.9
• 作者: Caytan E

Solvent Suppression in Pure Shift NMR

纯位移 NMR 中的溶剂抑制

• DOI: 10.1021/acs.analchem.3c05379
• 发表时间: 2024
• 期刊: Analytical Chemistry
• 影响因子: 7.4
• 作者: Gates E

A computational tool to accurately and quickly predict 19F NMR chemical shifts of molecules with fluorine-carbon and fluorine-boron bonds.

一种计算工具，可准确快速地预测具有氟-碳和氟-硼键的分子的 19F NMR 化学位移。

• DOI: 10.1039/d2cp02317b
• 发表时间: 2022
• 期刊: PCCP
• 作者: Dumon AS