RII Track-4: The Rational Design of Higher Energy Barrier Molecular Magnets

RII Track-4：高能垒分子磁体的合理设计

• 批准号: 1929096
• 负责人: Elisabeth Fatila
• 金额: $ 13.66万
• 依托单位: Louisiana Tech University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-12-01 至 2022-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1929096&HistoricalAwards=false
• 关键词: RII; Track; Rational; Design; Higher

Big data processes require the storing of substantial amounts of information. For this reason, single molecule magnets have great potential to be a vehicle for high-density information storage. Currently, single molecule magnets remain limited to operating under temperatures of minus 190 degrees Celsius. This award supports furthering the fundamental understanding of the design principles needed for increasing the operating temperature of single molecule magnets. Because of the need to understand the fundamental properties of these molecules, the PI from Louisiana Tech will utilize the resources and expertise available at Texas A&M University (TAMU). With this fellowship, the PI and collaborators will synthesize new single molecule magnets and characterize their structure and magnetic properties. The facilities of TAMU will be critical to the success of this work. TAMU has the necessary air-sensitive equipment and the characterization facilities needed to achieve the scientific objectives of this project. With further collaborations sustained between the PI's laboratory at Louisiana Tech University (LATech) and TAMU, there will be increased publication output and research productivity at LATech. This award will also enhance the training, education and research opportunities for students in the Northern Louisiana region in the chemical sciences. The scientific objective for this fellowship is to rationally design single molecule magnets (SMMs) with higher blocking temperatures through systematically increasing magnetoanisotropy and reducing quantum tunneling of the magnetization (QTM). The PI plans to probe the structure-function relationship of single molecule magnets through systematically investigating the electronic effects of the ubiquitous beta-diketonate family of ligands on the magnetic properties of SMMs. New radical anion ligands with terpyridine and quinone moieties will be coordinated to both 4d/5d metals and 4f metal ions. Azophenine derivatives, with increased magnetic coupling to metal ions, will also be synthesized and used as ligands to reduce QTM. The first examples of full spectroscopic and computational investigations of mixed metal complexes will enhance our understanding of the design principles needed for increasing uniaxial magnetoanisotropy and for reducing QTM. Ultimately, this knowledge will lead to the rational design of new SMMs that have increased energy barriers and higher blocking temperatures. TAMU will provide the glove boxes and Schlenk lines needed to conduct air-sensitive chemistry necessary for synthesizing and characterizing the complexes for this project. TAMU also has the necessary characterization equipment, such as a SQUID magnetometer, single crystal X-ray diffraction, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) spectrometers, on site. The advanced facilities at TAMU are crucial to the success of the project and to the rational design of SMMs with higher thermal energy barriers.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.

大数据过程需要存储大量信息。因此，单分子磁体具有成为高密度信息存储载体的巨大潜力。目前，单分子磁体仍然限于在零下190摄氏度的温度下工作。该奖项支持进一步了解提高单分子磁体工作温度所需的设计原理。由于需要了解这些分子的基本性质，路易斯安那理工大学的PI将利用德克萨斯A M大学（TAMU）的资源和专业知识。有了这个奖学金，PI和合作者将合成新的单分子磁体，并表征其结构和磁性。TAMU的设施对这项工作的成功至关重要。TAMU拥有必要的空气敏感设备和实现该项目科学目标所需的表征设施。随着路易斯安那理工大学（LATech）PI实验室与TAMU之间的进一步合作，LATech的出版物产量和研究生产力将有所增加。该奖项还将提高培训，教育和研究机会，为学生在北方路易斯安那州地区的化学科学。该奖学金的科学目标是通过系统地增加磁各向异性和减少磁化（QTM）的量子隧穿来合理设计具有更高阻断温度的单分子磁体（SMM）。PI计划通过系统地研究普遍存在的β-二酮配体家族对SMM磁性的电子效应来探索单分子磁体的结构-功能关系。新的自由基阴离子配体与三联吡啶和醌部分将协调的4d/5d金属和4f金属离子。偶氮苯衍生物，与金属离子的磁耦合增加，也将被合成和用作配体，以减少QTM。第一个例子的混合金属配合物的完整的光谱和计算调查将提高我们的理解所需的设计原则，增加单轴磁各向异性和减少QTM。最终，这些知识将导致新的SMM的合理设计，增加了能量屏障和更高的阻塞温度。TAMU将提供手套箱和Schlenk生产线，以进行合成和表征该项目复合物所需的空气敏感化学。TAMU还拥有必要的表征设备，如SQUID磁力计，单晶X射线衍射仪，电子顺磁共振（EPR）和核磁共振（NMR）光谱仪。TAMU的先进设施对项目的成功和具有更高热能屏障的SMM的合理设计至关重要。该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。