CAREER: Design Strategies for High-Performance Bismuth- and Lanthanide-Based Single-Molecule Magnets

职业：高性能铋基和镧系单分子磁体的设计策略

• 批准号: 2339595
• 负责人: Selvan Demir
• 金额: $ 77万
• 依托单位: Michigan State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2024
• 资助国家: 美国
• 起止时间: 2024-03-01 至 2029-02-28
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2339595&HistoricalAwards=false
• 关键词: CAREER; Design; Strategies; Performance; Bismuth

With support from the Chemical Structure, Dynamics & Mechanisms-B Program of the Chemistry Division, Selvan Demir of the Department of Chemistry at Michigan State University is employing organometallic chemistry to develop new classes of molecular compounds with interesting magnetic properties, known as single-molecule magnets (SMMs). The exciting potential applications of SMMs span from high-density information storage, quantum computing, to spin-based electronic devices, but hinge on increasing the spin-reversal barrier, magnetic blocking temperature, and coercive field - all metrics that describe the molecule’s ability to retain information after removing an applied external magnetic field. This project will develop new rational design strategies to engender new types of SMMs comprising bismuth and the paramagnetic lanthanides. The combination of the electronic features of bismuth and lanthanide sites could usher in a new generation of SMMs with unparalleled performance characteristics. The project tightly integrates academic research and education in several ways to provide the highest level of education to the public and students at all stages. This includes a creative approach “Science Meets Art” that utilizes the power of visualization to facilitate entry into the elaborate spin-based science subject where exhibitions in a gallery and museums are planned. The development of an experimental quantum information science course accompanied with a magnetism kit is also encompassed alongside lectures at local schools.Single molecule magnets (SMMs) exhibit a barrier to spin reversal and in the absence of quantum tunneling, magnetic hysteresis similar to bulk magnets. Therefore, one of the most important but also challenging goals is to increase simultaneously spin ground state and magnetic anisotropy, critical goals in the pursuit of strongly coupled multinuclear SMMs. Strong coupling is required as it suppresses fast relaxation pathways such as quantum tunneling which is needed for high-temperature SMMs. In addition, new chemical space must be explored to advance the field. Accordingly, this project aims to develop new rational design strategies to engender (i) the first bismuth-centered SMMs, (ii) new lanthanide SMMs containing bismuth radicals, (iii) new redox-active heterocyclic ligands composed of bismuth and nitrogen donors, (iv) the first multinuclear SMMs consisting of bismuth-nitrogen heterocyclic bridges, and (v) the first multinuclear SMMs containing bismuth-nitrogen heterocyclic radicals. From a fundamental point of view, the thorough study of magnetic coupling pathways through diamagnetic and paramagnetic bridges has the potential to advance knowledge of relaxation dynamics occurring in SMMs, and in so doing, pave the way for future SMM design.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.

在化学结构，动力学B计划的支持下，密歇根州立大学化学系的Selvan Demir正在采用有机化学来开发具有有趣磁性特性的新型分子化合物，称为单分子磁铁（SMMS）。 SMM的令人兴奋的潜在应用从高密度信息存储，量子计算到基于旋转的电子设备，但在增加自旋反转屏障，磁阻滞温度和强制性场方面取决于铰接，这些指标都描述了分子在去除施加的外部磁场后保留信息的能力。该项目将制定新的理性设计策略，以使新型的SMM构成bismuth和顺磁性灯笼。鞭毛和灯笼位点的电子特征的组合可以引入具有无与伦比的性能特征的新一代SMM。该项目以多种方式将学术研究和教育紧密整合，以在各个阶段向公众和学生提供最高水平的教育。这包括一种创造性的方法“科学遇见艺术”，该方法利用可视化的力量促进了进入精心制作的基于旋转的科学主题，并计划在画廊和博物馆中展览。还与当地学校的讲座一起涵盖了带有磁化试剂盒的实验量子信息科学课程的开发。各个分子磁铁（SMMS）暴露于自旋逆转的障碍，并且在没有量子隧道的情况下，磁性滞留，类似于散装磁铁。因此，最重要但也挑战目标之一是增加旋转基态和磁各向异性，这是追求强耦合多核SMM的关键目标。需要强耦合，因为它抑制了快速SMM所需的快速松弛途径，例如量子隧道。此外，必须探索新的化学空间以推进该领域。 According to this, this project aims to develop new rational design strategies to engender (i) the first bismuth-centered SMMs, (ii) new lanthanide SMMs containing bismuth radicals, (iii) new redox-active heterocyclic ligands composed of bismuth and nitrogen donors, (iv) the First multinuclear SMMs consisting of bismuth-nitrogen heterocyclic bridges, （v）第一个含有二核氮杂环自由基的多核SMM。从基本的角度来看，通过磁磁和顺磁桥对磁耦合途径进行了彻底研究，有可能提高SMM中发生的放松动态的知识，并在这样做的过程中为未来的SMM设计铺平了道路。该奖项反映了NSF的法定任务，并通过评估基金会的智力效果，以表现出珍贵的支持。