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

核磁共振光谱学是研究各种形式物质的主要非破坏性分析方法，对许多科学和工程领域至关重要。这种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“常青树”，因为壮观的新发展和应用继续以相当快的速度开花。我的研究计划的长期目标是通过进一步了解化合物和材料的结构、动力学和性质与各种固态核磁共振(SS核磁共振)观察值之间的联系，对这些化合物和材料的结构、动力学和性质产生新的和有效的化学见解。这项发现资助计划描述了我们在晶体工程、核磁共振结晶学和机械力化学转化的实时研究中应用SS核磁共振波谱方法的5年计划。该研究计划专注于影响和创新，以及世界级的高素质人才培训(HQP)。氢键和范德华相互作用等非共价相互作用是公认的，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SS核磁共振和核四极共振(NQR)光谱来表征非共价硫族、pNictogen和Tetrel键。该计划的第二部分将专注于建立和理解受卤素、硫族、pnitogen和Tetrel键调制的固体中的新的动态过程。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主题将集中在开发和应用新的光谱工具，以实时研究固态反应和动态过程。我对HQP的培训方法是成为他们职业发展的催化剂，最终汇聚到“通过挑战来指导”的哲学上，鼓励每个人成为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，并为HQP在学术界、私营行业和政府的工作提供了职位。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，可以促进包容性环境的形成。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、政府和公众在内的不同受众发表会议和研讨会演讲；新化合物；自由软件产品；以及核磁共振脉冲序列。这些产出对利益相关者和HQP产生了影响，最终导致最高职位的安置，积极的社会影响，以及扩大税基以支持加拿大人。

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.