Porphyrins as Building Blocks for Molecular Magnetic Materials

北卡罗来纳州立大学这个职业奖项是在有机动力学项目中颁发的，以支持大卫·舒尔茨博士的研究和教学活动。这项研究将集中于基于四芳基卟啉的分子磁性材料的设计、合成和表征。卟啉核将提供连接有机自由基团的位置以及金属的结合位置，允许通过与多齿配体的络合来制备扩展材料，包括电荷转移络合物和配位聚合物。具体地说，具有四个自由基取代基的金属四芳基卟啉单元将被氧化，得到可以进行高自旋偶联的五元体系。将通过EPR、晶体结构测定和磁强计测量进行表征。磁化测量将由分子内自旋-自旋相互作用的分子模拟来补充。舒尔茨博士的教学计划将重点放在开发用于有机化学结构和反应的三维可视化的动画软件。一个显著的特点是将动画融入北卡罗来纳州的有机化学课程，并通过马赛克万维网向化学界提供。基于金属卟啉的有机磁性材料对于了解磁性的分子基础以及它们在生物体系中用于磁性涂层和复合材料以及自由基探针的可能性都具有内在的兴趣。研究生和本科生都参与了这项研究的实施，这将具有重大的教育价值。

North Carolina State U. This CAREER award is made in the Organic Dynamics Program in support of the research and teaching activities of Dr. David Schultz. The research will focus on the design, synthesis, and characterization of molecular magnetic materials based on tetraarylporphyrins. The porphyrin nucleus will provide sites for attaching organic free radical groups as well as binding sites for metals, allowing for the preparation of extended materials including charge transfer complexes and coordination polymers through complexation with multidentate ligands. Specifically, metal tetraarylporphyrin units with four free radical substituents will be oxidized to give pentaradical systems which can undergo high spin coupling. Characterization will be by EPR, crystallographic structure determination and magnetometer measurements. Magnetization measurements will be complemented by molecular modeling of intramolecular spin-spin interactions. Dr. Schultz' teaching plan will focus on the development of animation software for three dimensional visualization of organic chemistry structures and reactions. A salient feature will be incorporating the animations into the organic chemistry courses at North Carolina State and making them available to the chemistry community via the Mosaic World-Wide-Web. Metal porphyrin-based organic magnetic materials are of inherent interest both for a fundamental understanding of the molecular basis of magnetism and their possible application to magnetic coatings and composites and radical probes in biological systems. The involvement of both graduate and undergraduate students in the implementation of the research will have a significant educational value.