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

大数据流程需要存储大量信息。因此，单分子磁体具有作为高密度信息存储载体的巨大潜力。目前，单分子磁体仍然仅限于在零下190摄氏度的温度下工作。该奖项支持进一步加深对提高单分子磁体工作温度所需设计原则的基本理解。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将利用德克萨斯农工大学(TAMU)可用的资源和专业知识。有了这项合作，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的设施将是这项工作成功的关键。TAMU拥有实现该项目科学目标所需的必要的空气敏感设备和表征设施。随着路易斯安那理工大学(LaTech)的PI实验室与TAMU之间的进一步合作，LaTech的出版产出和研究生产率将会增加。该奖项还将增加北路易斯安那州地区学生在化学科学方面的培训、教育和研究机会。该基金的科学目标是通过系统地增加磁各向异性和减少磁化强度的量子隧道效应(QTM)来合理地设计具有更高阻塞温度的单分子磁体(SMM)。PI计划通过系统地研究普遍存在的β-二酮类配体对SMM磁性的电子效应来探索单分子磁体的结构-功能关系。含有联吡啶和苯二酚的新型自由基阴离子配体将同时与4d/5d金属和4f金属离子配位。还将合成与金属离子具有更强磁性耦合的偶氮苯类化合物，并将其用作配体来降低QTM。混合金属络合物的全光谱和计算研究的第一个例子将加深我们对增加单轴磁各向异性和降低QTm所需的设计原理的理解。最终，这些知识将导致新的SMM的合理设计，这些SMM增加了能量屏障和更高的阻挡温度。TAMU将提供进行空气敏感化学所需的手套箱和Schlenk线，这是合成和表征该项目所需的络合物所必需的。TAMU还在现场拥有必要的表征设备，如SQUID磁强计、单晶X射线衍射仪、电子顺磁共振(EPR)和核磁共振(核磁共振)光谱仪。TAMU的先进设施对于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智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

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.