Controlling Magnetic Excitation Pathways via Molecular Design of Anisotropic Dipolar Spin Arrays

通过各向异性偶极自旋阵列的分子设计控制磁激发路径

• 批准号: 2154830
• 负责人: Jeffrey Rinehart
• 金额: $ 48万
• 依托单位: University of California-San Diego
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-08-01 至 2025-07-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2154830&HistoricalAwards=false
• 关键词: Controlling; Magnetic; Excitation; Pathways; via

With support from the Chemical Structure, Dynamics & Mechanisms-B Program of the Chemistry Division, Jeffrey D. Rinehart of the Department of Chemistry and Biochemistry at the University of California, San Diego and his research team will work toward the design of magnetic interactions at the single molecule level. The team is targeting a specific set of materials that interact via intuitive and controllable mechanisms akin to normal bar magnets, despite their quantum mechanical nature. Access to these new materials has the potential to offer new avenues to the design of quantum spin interactions from the bottom up. The insight garnered from the group’s research will be used to hone fundamental models of spin relaxation and offer new entanglement mechanisms in quantum information science. This project combines subjects of inorganic, organic, theoretical, and computational chemistry and will be conducted primarily by graduate and undergraduate students at University of California, San Diego. Outreach within the scope of this project will be a collaboration with the Preuss School UC San Diego, a charter school for middle and high school low-income scholars with goals to become first-generation college students. Controlling the spin wavefunction of high moment, high anisotropy lanthanide-based molecules requires broadly applicable and feasibly implementable synthetic guidelines both to optimize desired magnetic properties in distinct units and to extend into materials of higher dimensionality. Many approaches have been pursued in this regard, including optimizing the crystal field to maximize single-ion anisotropy and promoting strong orbital exchange interactions between magnetic metal centers. Emphasizing control and versatility, this work attempts to develop a general strategy to emergent complexity through a building block approach based on the magnetic dipolar interaction between highly anisotropic units. Preliminary work has established that magnetic orientational anisotropy is consistently and predictably enforced for an erbium ion (Er3+) when bound to a cyclooctatetraene dianion, leaving other ligand sites available to establish connectivity. The predictable magnitude and direction of the magnetic moment allow intuitive design of through-space dipolar interaction pathways. The synthetic accessibility and flexibility of the magnetic building unit should allow for tight control of molecular structure to modify, test, and describe this interaction across symmetry, angular, and dimensional parameter space, creating the potential for a wavefunction-by-design approach to molecular spin dynamics.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.

在化学部的化学结构，动力学和机制-B计划的支持下，加州大学圣地亚哥大学化学和生物化学系的Jeffrey D. Rinehart及其研究团队将致力于在单分子水平上设计磁相互作用。该团队针对一组特定的材料，该材料通过类似于正常棒磁体的直觉和受控机制相互作用，dospite具有量子机械性质。访问这些新材料有可能为自下而上的量子自旋相互作用设计提供新的途径。该小组研究中获得的洞察力将用于刺激旋转放松的基本模型，并在量子信息科学中提供新的纠缠机制。该项目结合了无机，有机，理论和计算化学的主题，并将主要由加利福尼亚大学圣地亚哥分校的研究生和本科生进行。该项目范围内的外展活动将是与普雷斯学校圣地亚哥分校的合作，这是一所特许学校，是一所中学和高中低收入学校的特许学校，目标是成为第一代大学生。为了控制高矩的自旋波函数，高各向异性基于灯笼的分子需要广泛适用的和可行的可实现的合成准则，以优化不同单位的所需磁性，并扩展到更高维度的材料中。在这方面，已经采用了许多方法，包括优化晶体场以最大化单离子各向异性并促进磁性金属中心之间的强轨道交换相互作用。强调控制和多功能性，这项工作试图通过基于高度各向异性单元之间的磁性偶极相互作用来制定一般策略，以通过构建块方法进行新兴复杂性。初步工作已经确定，当与环粒二烯型二角轴结合时，磁取向各向异性始终如一，可预测地执行ERBIUM离子（ER3+），而其他配体位点可用于建立连接性。磁矩的可预测磁性和方向允许通过空间偶极相互作用途径直观设计。磁性建筑单元的合成可及性和灵活性应允许对分子结构进行严格的控制，以修改，测试和描述跨对称，角度和维数参数空间之间的这种相互作用，从而为分子旋转动力学的波动方法创造了潜在的潜力，这反映了NSF的法定任务和审查的范围，这是通过评估良好的范围来评估的。