Solid-State NMR Studies of Non-Covalent Interactions. Structure and Dynamics.

非共价相互作用的固态核磁共振研究。

• 批准号: RGPIN-2020-04623
• 负责人: Bryce, David
• 金额: $ 7.65万
• 依托单位: University of Ottawa
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2022
• 资助国家: 加拿大
• 起止时间: 2022-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=748186
• 关键词: Solid; State; NMR; Studies; Non

Nuclear magnetic resonance (NMR) spectroscopy is the premier non-destructive analytical method for studying all forms of matter, and is vital to many areas of science and engineering. The method relies on the interaction between a nuclear spin and a magnetic field, and has been called "an evergreen" of science because spectacular new developments and applications continue to blossom at a substantial rate. The long-term goal of my research program is to produce novel and impactful chemical insight into the structure, dynamics, and properties of chemical compounds and materials by furthering our understanding of the connection between these properties and various solid-state nuclear magnetic resonance (SSNMR) observables. This Discovery Grant proposal describes our 5-year plans for the development of SSNMR spectroscopic methods with applications in crystal engineering, NMR crystallography, and real-time studies of mechanochemical transformations. The research program is focussed on impact and innovation coupled with world-class training of highly-qualified personnel (HQP) Non-covalent interactions such as hydrogen bonding and van der Waals' interactions are well-established to play critical roles in the structure and function of chemical compounds, materials, and biomolecules. We will use SSNMR and nuclear quadrupole resonance (NQR) spectroscopy to characterize non-covalent chalcogen, pnictogen, and tetrel bonds. A second strand of the program will focus on establishing and understanding novel dynamic processes in solids which are modulated by halogen, chalcogen, pnictogen, and tetrel bonds. We will use crystal engineering principles to design and develop new molecular machines which take advantage of these interactions. A final high-risk high-reward theme of our program will centre on the development and application of new spectroscopic tools to study solid-state reactions and dynamical processes in real time. My approach to training HQP is to be a catalyst for their professional development, ultimately converging on a `mentoring-by-challenging' philosophy, encouraging each individual to be a strong independent thinker and doer. My training plan fills a timely gap in the Canadian research landscape and positions HQP for jobs in academia, private industry, and government. An inclusive environment is fostered by empowering all HQP to contribute to decision making and by actively promoting mutual respect among team members through open dialogue, listening, and leading by example. Our research activities lead to publications in a range of leading journals; conference and seminar presentations to diverse audiences comprising academia, industry, government, and the general public; new chemical compounds; free software products; and NMR pulse sequences. These outputs lead to impacts for stakeholders and HQP, which ultimately lead to top job placements, positive social impact, and an expanded tax base to support Canadians.

核磁共振（NMR）光谱是研究所有形式物质的首要非破坏性分析方法，对许多科学和工程领域至关重要。该方法依赖于核自旋和磁场之间的相互作用，并被称为科学的“万年青”，因为壮观的新发展和应用继续以相当大的速度开花。 我的研究计划的长期目标是通过进一步了解这些性质与各种固态核磁共振（SSNMR）观测值之间的联系，对化合物和材料的结构，动力学和性质产生新颖而有影响力的化学见解。 这个发现补助金提案描述了我们在晶体工程，NMR晶体学和机械化学转化的实时研究中应用SSNMR光谱方法的5年发展计划。该研究计划的重点是影响和创新，再加上世界一流的高素质人才（HQP）的培训。非共价相互作用，如氢键和货车范德华相互作用是公认的在化合物，材料和生物分子的结构和功能中发挥关键作用。我们将使用SSNMR和核四极共振（NQR）光谱来表征非共价硫属元素，磷属元素和四元键。该计划的第二条链将集中在建立和理解新的动态过程中的卤素，硫族元素，磷族元素和四键调制的固体。我们将使用晶体工程原理来设计和开发利用这些相互作用的新分子机器。我们计划的最后一个高风险高回报的主题将集中在新的光谱工具的开发和应用上，以研究固态反应和真实的动力学过程。 我的培训HQP的方法是成为他们职业发展的催化剂，最终融合在“挑战指导”的哲学上，鼓励每个人成为一个强大的独立思考者和实干家。我的培训计划及时填补了加拿大研究领域的空白，并将HQP定位于学术界，私营企业和政府的工作。通过授权所有HQP为决策做出贡献，并通过公开对话、倾听和以身作则积极促进团队成员之间的相互尊重，营造一个包容的环境。我们的研究活动导致在一系列领先期刊上发表文章;向包括学术界，工业界，政府和公众在内的各种受众进行会议和研讨会演讲;新化合物;免费软件产品;和NMR脉冲序列。这些产出对利益相关者和HQP产生了影响，最终导致最高的就业安置，积极的社会影响，以及扩大税基以支持加拿大人。