NMR spectrometer for studies of molecular transport

用于研究分子输运的核磁共振波谱仪

• 批准号: 525518783
• 金额: --
• 依托单位: Universität Münster
• 依托单位国家: 德国
• 项目类别: Major Research Instrumentation
• 财政年份: 2023
• 资助国家: 德国
• 起止时间: 2022-12-31 至 无数据
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/525518783?language=en
• 关键词: NMR; spectrometer; studies; molecular; transport

A 300 MHz NMR spectrometer with additional equipment for studies of molecular transport (diffusion and electrophoretic NMR) is envisioned. For this purpose pulsed field gradient methods are used, which require a gradient pulse controller as well as a high power gradient amplifier and a dedicated probe head with appropriate gradient coils (one dimensional, z-gradient). The focus of the application is on transport and structural studies in self-organized soft matter on the one hand and in ion transport processes in battery electrolytes on the other hand. Self-organized materials include colloidal systems such as surfactant micelles, liposomes or emulsions in which the diffusion coefficients of the molecular components are determined using 1H PFG NMR. These provide information about the respective molecular localization, aggregate sizes and, if applicable, exchange processes. In particular, the focus is on the development of switchable materials, in which structural changes are induced by molecular switches under light irradiation and are to be monitored under in-situ NMR at the same time. Furthermore, self-organized polymer systems (block or graft copolymers, polymer gels) are optimized with regard to various fields of application. PFG-NMR Diffusion is used here to study molecular transport processes in constrained geometry, i.e. in mesophases and nanochannels. In the second focus of application, various Li+-conducting battery electrolytes such as ionic liquids, organic liquid electrolytes, locally highly concentrated liquid electrolytes or polymer gel electrolytes are examined and optimized with regard to their Li+ transport properties. This includes multinuclear diffusion measurements of 1H, 7Li and 19F to characterize all species in their diffusivity, complemented by electrochemical methods. In particular, electrophoretic NMR is used on these systems in order to determine drift velocities in the electric field. With the help of multinuclear characterization (1H, 7Li and 19F), not only ionic species, but also neutral components that coordinate to them can be characterized with regard to co-migration in the electric field. This allows a complete description of the transport process of all species, the elucidation of the relevance of coordination and cluster formation, up to the determination of correlation coefficients. Sufficiently high magnetic field gradients (> 15 T/m) are required for the above applications in order to also be able to quantify large aggregates and slow diffusion in polymer materials. Furthermore, a broadband diffusion probe head is required for the electrolyte systems, with which the cores 7Li, 1H and 19F can be measured automatically in sequence.

一个300 MHz的NMR光谱仪与额外的设备，用于研究分子的运输（扩散和电泳NMR）的设想。为此目的，使用脉冲场梯度方法，其需要梯度脉冲控制器以及高功率梯度放大器和具有适当梯度线圈（一维，z梯度）的专用探头。该应用程序的重点是一方面在自组织软物质中的传输和结构研究，另一方面在电池电解质中的离子传输过程中。自组织材料包括胶体系统，如表面活性剂胶束、脂质体或乳液，其中分子组分的扩散系数使用1H PFG NMR测定。这些提供了关于各自的分子定位、聚集体大小和交换过程（如果适用）的信息。特别是，重点是可切换材料的开发，其中结构变化是由光照射下的分子开关引起的，并同时在原位NMR下进行监测。此外，自组织聚合物体系（嵌段或接枝共聚物、聚合物凝胶）在各种应用领域中得到优化。PFG-NMR扩散在这里用于研究受限几何结构中的分子输运过程，即在中间相和纳米通道中。在应用的第二个焦点中，各种Li+传导电池电解质，例如离子液体、有机液体电解质、局部高度浓缩的液体电解质或聚合物凝胶电解质，在它们的Li+传输特性方面被检查和优化。这包括1H，7 Li和19 F的多核扩散测量，以表征所有物种的扩散率，并辅以电化学方法。特别是，电泳NMR用于这些系统，以确定在电场中的漂移速度。借助多核表征（1H，7 Li和19 F），不仅离子物种，而且与它们配位的中性组分可以在电场中的共迁移方面进行表征。这使得一个完整的描述的所有物种的运输过程中，阐明的相关性的协调和集群的形成，相关系数的确定。上述应用需要足够高的磁场梯度（> 15 T/m），以便也能够量化聚合物材料中的大聚集体和缓慢扩散。此外，对于电解质系统需要宽带扩散探头，利用该宽带扩散探头可以自动地依次测量芯7 Li、1H和19 F。