Dynamic nuclear polarisation theory and method development

动态核极化理论与方法发展

• 批准号: 2109001
• 金额: --
• 依托单位: University of Nottingham
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2109001
• 关键词: Dynamic; nuclear; polarisation; theory; method

The project will test laser melting for dissolution-DNP as a method development and focus in the theoretical part on the properties of the radical molecules (the compounds that carry the unpaired electrons). For example looking into density functional calculations to determine the coupling between electrons and nuclei, then attempting to verify these calculations using EPR measurements and run DNP NMR experiments to establish how the DNP efficiency depends on the electronic properties.

该项目将测试激光熔化溶解-DNP作为方法开发，并将重点放在自由基分子（携带未成对电子的化合物）的性质的理论部分。例如，研究密度泛函计算以确定电子和原子核之间的耦合，然后尝试使用EPR测量来验证这些计算，并运行DNP NMR实验以确定DNP效率如何取决于电子性质。