A National Service for Electron Paramagnetic Resonance, 2006-2011

国家电子顺磁共振服务，2006-2011

• 批准号: EP/D050782/1
• 负责人: David Collison
• 金额: $ 180.38万
• 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: 2006
• 资助国家: 英国
• 起止时间: 2006 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FD050782%2F1
• 关键词: National; Service; Electron; Paramagnetic; Resonance

Paramagnetic materials (sometimes called radicals) have unpaired electrons and these are responsible for much of the fabric of modern life, for example: (i) Breathing and paint drying - oxygen has 2 unpaired electrons, which govern its reactivity(ii) Magnetic data storage in computers(iii) Catalysis involving oxidation and reduction (both industrial and biological)Electron paramagnetic resonance (EPR) spectroscopy flips the spin of unpaired electrons in a magnetic field using microwave energy, just as nuclear magnetic resonance (NMR) flips nuclear spins using radiofrequency; EPR requires unpaired electrons, whereas NMR requires non-zero nuclear spins and most commonly no unpaired electrons (i.e. diamagnetic materials).State-of-the-art EPR spectroscopy requires a multi-frequency approach, and here in Manchester we have 6 frequencies (called microwave bands) between 1.5 and 94 GHz. There are advantages for data collection and for interpretation by being able to work at lower (say 9.4 GHz) or higher (say 94 GHz) frequencies, and for many problems the application of more than one frequency is essential to analyse the data. Increasingly there is a demand for more sophisticated experimental configurations, e.g. the generation of radicals by light irradiation or application of an electric current, or measuring a sample cooled to liquid helium temperature (ca. 4 K). For most real systems, such as a catalyst, a biological sample suffering radiation damage or a proposed component of a quantum computer, data analysis requires computer modelling with sophisticated and non-automatable software.The purpose of the National Service for EPR Spectroscopy is to provide a range of equipment and expertise to the chemical community in the United Kingdom, free at the point of use, which cannot be found in any individual institution. Indeed the equipment base in EPR in Manchester is unique world-wide in any one laboratory. The Service was initially established in 1995 in a different form and has been successfully assessed and reviewed every 2-3 years since, and has undergone major evolution currently to comprise 2 academic members of staff, 2 researchers and 1 technician with some secretarial support on a single site, with an equipment base of ca. 2M at current prices.This application is designed to provide a sensible and cost effective way to provide multi-frequency EPR resources to support the entire UK Chemistry community for a consolidated period of 5 years from Spring 2006. The wide demand for the Service covers synthesis (inorganic, bioinorganic, coordination chemistry, materials, organic, polymers, supramolecular); chemical biology; catalysis and surfaces; electrochemistry; molecular mechanisms; analytical science, particles, clusters and catalysis; synthesis and processing; ceramic and glass materials; polymeric materials; bio and bio-mimetic materials; electronic and optical materials; magnetic materials; quantum information processing (QIP); condensed matter research; carbon based electronics. The application requests funding to replace and to upgrade some elements of the infrastructure that are ageing or becoming no longer competitive, as well as providing a revised and extended management structure and a new portfolio of training and publicity mechanisms.

顺磁性材料（有时称为自由基）具有不成对的电子，这些电子构成了现代生活的大部分结构，例如：（i）呼吸和油漆干燥 - 氧气有 2 个不成对的电子，它们控制其反应性（ii）磁性数据存储(iii) 涉及氧化和还原的催化（工业和生物）电子顺磁共振 (EPR) 光谱利用微波能量翻转磁场中不成对电子的自旋，就像核磁一样共振 (NMR) 使用射频翻转核自旋； EPR 需要不成对的电子，而 NMR 需要非零核自旋，并且最常见的是不需要不成对的电子（即抗磁性材料）。最先进的 EPR 光谱需要多频率方法，在曼彻斯特，我们有 6 个频率（称为微波频段）在 1.5 至 94 GHz 之间。能够在较低（例如 9.4 GHz）或较高（例如 94 GHz）频率下工作对于数据收集和解释来说是有优势的，并且对于许多问题来说，应用多个频率对于分析数据至关重要。越来越需要更复杂的实验配置，例如通过光照射或施加电流产生自由基，或测量冷却至液氦温度（约 4 K）的样品。对于大多数真实系统，例如催化剂、遭受辐射损伤的生物样本或量子计算机的拟议组件，数据分析需要使用复杂且不可自动化的软件进行计算机建模。国家 EPR 光谱服务的目的是提供向英国化学界提供一系列设备和专业知识，在使用时免费，这是任何单个机构都找不到的。事实上，曼彻斯特 EPR 的设备基地在全球任何一个实验室中都是独一无二的。该服务最初以不同的形式于 1995 年成立，此后每 2-3 年成功进行一次评估和审查，目前已经历重大发展，由 2 名学术人员、2 名研究人员和 1 名技术人员组成，并提供一些秘书支持。单一站点，设备基地约。按当前价格计算为 2M。此应用程序旨在提供一种明智且具有成本效益的方式来提供多频 EPR 资源，以在 2006 年春季起的 5 年内支持整个英国化学界。对该服务的广泛需求涵盖合成（无机、生物无机、配位化学、材料、有机、聚合物、超分子）；化学生物学；催化和表面；电化学；分子机制；分析科学、粒子、团簇和催化；合成与加工；陶瓷和玻璃材料；高分子材料；生物和仿生材料；电子、光学材料；磁性材料；量子信息处理（QIP）；凝聚态物质研究；碳基电子产品。该申请要求提供资金来更换和升级一些老化或不再具有竞争力的基础设施要素，并提供修订和扩展的管理结构以及新的培训和宣传机制组合。

项目成果

An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes.

用于测定镝络合物磁各向异性的静电模型。

• DOI: http://dx.10.1038/ncomms3551
• 发表时间: 2013
• 期刊: Nature communications
• 影响因子: 16.6
• 作者: Chilton NF

A detailed study of the magnetism of chiral {Cr7M} rings: an investigation into parametrization and transferability of parameters.

手性 {Cr7M} 环磁性的详细研究：参数化和参数可传递性的研究。

• DOI: http://dx.10.1021/ja5047445
• 发表时间: 2014
• 期刊: Journal of the American Chemical Society
• 影响因子: 15
• 作者: Garlatti E

[Rh(7)(PiPr(3))(6)H(18)][BAr(F) (4)](2): a molecular Rh(111) surface decorated with 18 hydrogen atoms.

[Rh(7)(PiPr(3))(6)H(18)][BAr(F) (4)](2)：分子Rh(111)表面修饰有18个氢原子。

• DOI: http://dx.10.1002/anie.200703069
• 发表时间: 2007
• 期刊: Angewandte Chemie (International ed. in English)
• 作者: Brayshaw SK

Magnetic relaxation pathways in lanthanide single-molecule magnets.

镧系元素单分子磁体中的磁弛豫路径。

• DOI: 10.1038/nchem.1707
• 发表时间: 2013-08-01
• 期刊: Nature chemistry
• 影响因子: 21.8
• 作者: Robin Blagg;L. Ungur;F. Tuna;J. Speak;P. Comar;D. Collison;W. Wernsdorfer;E. McInnes;L. Chibotaru
• 通讯作者: L. Chibotaru

A dense metal-organic framework for enhanced magnetic refrigeration.

用于增强磁制冷的致密金属有机框架。

• DOI: http://dx.10.1002/adma.201301997
• 发表时间: 2013
• 期刊: Advanced materials (Deerfield Beach, Fla.)
• 作者: Lorusso G