Collaborative Research: Nuclear Spin Optical Rotation of Hyperpolarized Liquids and Solids

合作研究：超极化液体和固体的核自旋旋光

• 批准号: 2108691
• 负责人: Igor Savukov
• 金额: $ 20.9万
• 依托单位: New Mexico Consortium
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-07-01 至 2024-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2108691&HistoricalAwards=false
• 关键词: Collaborative; Research; Nuclear; Spin; Optical

With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, Professor Christian Hilty (Texas A&M) and Dr. Igor Savukov (New Mexico Consortium) and their groups are combining two important chemical analysis tools - optical and nuclear magnetic resonance (NMR) spectroscopy - to study the configuration of electrons in matter. Both optical and NMR spectroscopy are frequently used to determine molecular structures in chemistry, but they operate in independent domains. Optical spectroscopy probes electron energy states, whereas NMR probes atomic nuclei. By combining both spectroscopies, the team can garner fundamental information on materials and molecules important for new technologies such as devices for harvesting energy from light, or information storage and readout for quantum computing. Students (including undergraduates) engaged in this project receive outstanding, interdisciplinary training, preparing them for careers in STEM (science, technology, engineering and mathematics). Professor Hilty also incorporates elements of NMR into his courses. Despite the potential for important advances in understanding electronic structure, nuclear spin optical rotation (NSOR) spectroscopy up to now has not been fully exploited. This project will use nuclear spin probes to characterize the dependence of the NSOR effect on molecular structure. This research team will undertake the measurement of NSOR in the solid state for the first time, opening up new possibilities for the use of this technique. The use of hyperpolarization is expected to lead to an increase in the NSOR signal by several orders of magnitude. The specific aims are: (1) to demonstrate the measurement of structure-dependent NSOR signals in a series of compounds containing hyperpolarized nuclear spin probes; (2) to construct an apparatus and demonstrate the detection of NSOR signals from solid state samples, utilizing the full potential of sensitivity enhancement by DNP (dynamic nuclear polarization); and (3) to develop computational methods for predicting liquid and solid state NSOR. In combination, these aims will lead to a method enabling the fundamental characterization of electron configurations of molecules in liquids and solids.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

在化学部化学测量和成像计划的支持下，Christian Hilty教授（德克萨斯州A M）和Igor Savukov博士（新墨西哥州财团）及其团队正在结合两种重要的化学分析工具-光学和核磁共振（NMR）光谱-来研究物质中电子的配置。光学和核磁共振光谱学经常用于确定化学中的分子结构，但它们在独立的领域中操作。光谱学探测电子能态，而核磁共振探测原子核。通过结合这两种光谱，该团队可以获得有关材料和分子的基本信息，这些信息对新技术至关重要，例如从光中获取能量的设备，或量子计算的信息存储和读出。参与该项目的学生（包括本科生）接受优秀的跨学科培训，为他们在STEM（科学，技术，工程和数学）的职业生涯做好准备。Hilty教授还将NMR的元素纳入他的课程。尽管核自旋旋光光谱在理解电子结构方面有着重要的潜力，但迄今为止还没有得到充分的利用。本计画将使用核子自旋探针来描述NSOR效应对分子结构的依赖性。该研究小组将首次在固态下测量NSOR，为这项技术的使用开辟了新的可能性。超极化的使用预计会导致NSOR信号增加几个数量级。具体目标是：（1）证明在一系列含有超极化核自旋探针的化合物中测量结构依赖的NSOR信号;（2）构建一种装置并证明利用DNP（动态核极化）提高灵敏度的全部潜力从固态样品中检测NSOR信号;（3）开发用于预测液态和固态NSOR的计算方法。结合起来，这些目标将导致一种方法，使基本表征的电子配置的分子在液体和solids.This奖项反映了NSF的法定使命，并已被认为是值得的支持，通过评估使用该基金会的智力价值和更广泛的影响审查标准。