400 MHz solution NMR instrument

400 MHz 溶液核磁共振仪

• 批准号: 515891555
• 金额: --
• 依托单位: Universität Augsburg
• 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/515891555?language=en
• 关键词: 400; MHz; solution; NMR; instrument

We are applying for a high resolution solution NMR machine (at least 400 MHz) with independent 1H and 19F channels (observation and decoupling), with which as many as possible experiment combinations of the nuclei A{B} as well as A{B}{C} can be performed. In this context A represents the nuclei 1H, 2H, 13C, 15N, 19F, 31P and 195Pt, while for B and C the nuclei 1H and 19F are particularly important. In general, the machine should (within the limits of the funds available) be optimized to allow for as many as possible 2D-A/A- or A/B-experiment combinations to be performed at least for the nuclei 1H, 2H, 13C, 15N, 19F, 31P, where for B again the nuclei 1H or 19F are in the main focus. Deuterium is expected to not just serve as a lock signal but also to be an observable nucleus with little equipment effort. An easily manageable, stable low-temperature function down to at least -100 °C (more desirable: -120°C) is absolutely mandatory and should in the best case also be practicable for long-range measurements (e. g. over night). In the high-temperature range, measurements must be possible up to at least 150 °C. A sample changer is expected to allow for self-dependently doing standard experiments over night and over the weekend, and on this purpose should provide at least 24 sample positions. As a major focus, the machine will be used to examine the activation and fixation of small molecules such as methane by transition metal complexes in solution with the target, to describe and predict the type and strength of interaction by measurable control parameters supported by DFT calculations, so a rational optimization of the structure of adsorption materials for the storage as well as the molecular design of catalysts for the selective and efficient transformation in particular of methane (but also of other small molecules such as H2, N2, CO or CO2) will be possible. Also to accomplish the complete characterization of taylor-made ligands developed for MOF synthesis (again with the target to explore new materials for storage and catalysis on the basis of MOFs) the machine is essential for the applying scientists.

我们正在申请具有独立1H和19F通道（观察和去耦）的高分辨率NMR机器（至少400 MHz），可以使用核A {B}的尽可能多的实验组合以及可以执行{B} {C}的实验组合。在这种情况下，A代表核1H，2H，13C，15N，19F，31p和195pt，而对于B和C，核1H和19F尤为重要。一般，应优化机器（在可用资金的范围内），以允许至少在核1H，2H，1H，13C，15N，19F，31P的核1H，1H，13C，19F，31P中执行尽可能多的2D-A/A-或A/B-实验组合，在该核1H，15N，19F，31P中，对于B，核1H或19F再次焦点。预计氘不仅可以用作锁定信号，而且还将成为几乎没有设备的可观察到的核心。易于管理，稳定的低温功能至少至-100°C（更可取的：-120°C）绝对是强制性的，在最好的情况下，对于长期测量值也应该是实用的（例如，晚上）。在高温范围内，必须进行至少150°C的测量值。预计样品更换器将允许在整夜和周末进行自我依赖的标准实验，因此，应至少提供24个样本位置。作为主要重点，该机器将用于检查小分子的激活和固定，例如通过溶液中的过渡金属复合物与目标进行过渡金属络合物的激活和固定，以描述和预测由DFT计算支持的可测量控制参数的类型和强度，因此，DFT计算支持的可测量控制参数，因此，对储存材料的添加材料的结构以及猫的分子设计的添加材料的合理优化，以及猫科的分子效果，以及猫科的分子效果，以及猫科的分子效果，以及效力的效果，以及效果的效果。 H2，N2，CO或CO2等分子将有可能。还可以完成为MOF合成开发的泰勒制造的配体的完整表征（再次具有探索新材料以根据MOF探索新材料的目标），对于应用科学家来说，机器是必不可少的。