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; 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）光谱法是研究所有形式物质的主要非破坏性分析方法，对科学和工程的许多领域至关重要。该方法依赖于核自旋与磁场之间的相互作用，并且被称为科学的“常绿”，因为壮观的新发展和应用继续以很高的速度开花。 我的研究计划的长期目标是通过进一步理解这些特性与各种固态核磁共振（SSNMR）可观察物之间的联系来对化合物和材料的结构，动力学和材料的结构，动力学和特性产生新颖而有影响力的化学见解。 该发现赠款提案描述了我们为开发SSNMR光谱方法开发的5年计划，并在晶体工程，NMR晶体学和机械化学转换的实时研究中应用。该研究计划的重点是影响和创新，再加上对高度合格人员（HQP）非共价相互作用（例如氢键和范德华的相互作用）的世界一流培训，可以在化合物，材料，材料，材料和生物分类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）光谱法来表征非共价chalcogen，Pnictogen和Tetrel键。该程序的第二条将集中于建立和理解固体中的新型动态过程，这些过程由卤素，chalcent，pnictent和Tetrel键调节。我们将使用水晶工程原理来设计和开发新的分子机器，以利用这些相互作用。我们计划的最终高风险高回报主题将集中在新的光谱工具的开发和应用上，以实时研究固态反应和动态过程。 我接受HQP的训练方法是成为其专业发展的催化剂，最终融合了“通过挑战”哲学的“指导”，鼓励每个人成为一个强大的独立思想家和行动者。我的培训计划及时填补了加拿大研究格局的及时差距，并将HQP置于学术界，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，聆听和以身作则的领导来积极促进团队成员之间相互尊重来促进包容性环境。我们的研究活动导致了一系列主要期刊的出版物；会议和研讨会演讲，包括包括学术界，行业，政府和公众的不同受众群体；新化合物；免费软件产品；和NMR脉冲序列。这些产出会对利益相关者和HQP产生影响，这最终导致了最高的工作机会，积极的社会影响以及扩大的税基以支持加拿大人。