Solid-State NMR Across the Periodic Table: Methods and Applications

整个元素周期表的固态核磁共振：方法和应用

• 批准号: RGPIN-2016-06642
• 负责人: Schurko, Robert
• 金额: $ 6.63万
• 依托单位: University of Windsor
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2016
• 资助国家: 加拿大
• 起止时间: 2016-01-01 至 2017-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=616432
• 关键词: Solid; State; NMR; Across; Periodic

Solid-state NMR (SSNMR) spectroscopy is the most powerful technique for the characterization of molecular-level structure and dynamics. NMR spectra are more sensitive to structural differences and changes than any other type of spectroscopy, which makes NMR invaluable for use in chemistry, biochemistry, physics and materials science. However, its major shortcoming is its sensitivity: since NMR is a very low energy spectroscopy, it can take a long time to acquire spectra with high signal-to-noise (S/N) ratios. Until recently, it was very difficult (or in some cases impossible) to acquire NMR spectra for many of the nuclides of the elements in the periodic table (about 80%) - these are collectively known as unreceptive NMR nuclides. Indeed, one of the holy grails of NMR is to solve the problem of low sensitivity, which would open NMR experimentation to a much broader range of materials, as well as reducing the time frames of conventional NMR experiments. Recent advances in both NMR hardware and experimental design have opened up much of the periodic table to investigation by SSNMR; our research group has played a major role in the latter respect. We have designed specialized pulse sequences that are capable of sweeping large frequency bandwidths and enhancing signal, which has permitted acquisition of NMR spectra of a wide range of unreceptive nuclides. Over the next five years, we plan to take SSNMR to the next level, and design pulse sequences and acquisition methodologies, in concert with the use of state-of-the-art hardware, to open up the entire periodic table of NMR-active nuclides to study by SSNMR. Our strategy is two-tiered, featuring both fundamental methods development and applied science: 1. New methodologies and pulse sequences will be developed, to push the limits of NMR signal enhancement and to acquire NMR spectra of a variety of unreceptive nuclides. 2. These methods will be used in collaborative projects with synthetic and materials chemists from around the world. In order to rationally design new materials with desirable properties, we must have an intimate understanding of their molecular-level structure and dynamics - our new methods will provide this information. We will investigate an array of systems from the perspective of unreceptive nuclides, including active pharmaceutical ingredients (APIs; including pills, tablets, and other dosage forms), framework and porous solids (including molecular machines and heterogeneous catalysts), and nanoparticles and nanodomains (including optically active NPs used in telecommunications applications and API formulations). Our methods will have major implications for how new materials are designed and characterized; students who train under this program will be well prepared to enter academic, government, or industrial workforces, and make major contributions to the socioeconomic well-being of Canada.

固体核磁共振（SSNMR）光谱是表征分子水平结构和动力学的最强大的技术。核磁共振光谱比任何其他类型的光谱对结构差异和变化更敏感，这使得核磁共振在化学，生物化学，物理和材料科学中的应用非常宝贵。但它的主要缺点是灵敏度低：由于核磁共振是一种非常低的能量谱，需要很长时间才能获得高信噪比的光谱。直到最近，获得元素周期表中许多元素的核素（约80%）的核磁共振光谱是非常困难的（或在某些情况下是不可能的）-这些被统称为不可接受的核磁共振核素。事实上，核磁共振的圣杯之一是解决低灵敏度的问题，这将使核磁共振实验在更广泛的材料范围内开放，并缩短传统核磁共振实验的时间框架。