Fundamental Crystal Engineering and the Design of Extended Host-guest Networks and Molecular-based Magnetic Materials

该奖项在无机，生物无机和有机物计划支持新的晶体工程协议的开发及其应用于合成沸石类似物和分子基磁性材料的组装研究，由堪萨斯州立大学化学系的Christer Aakeroy教授完成。这将通过使用氢键相互作用和定制设计的配体，特别是取代的吡啶，三嗪和嘧啶构建扩展的混合无机/有机架构来实现。后者将与二价Cu、Co、Mn和Ni离子结合使用以产生分子磁体。通过IR、NMR、DSC和X-射线衍射等手段对化合物进行了表征。催化载体化合物的效用将使用小烯烃的氢化作为模型反应，和金属嘧啶的磁性通过SQUID magnetometer.The本研究的目标是开发一个基于分子自组装的晶体工程原理的基本理解，并使用这些原则来合成具有有用的物理性质的材料。特别是催化剂载体和分子磁体将在石化和信息技术工业中具有重要应用。参与该项目的学生将学习合成和仪器方法的广泛技能，并获得将基础化学与商业用途联系起来的经验。

This award in the Inorganic, Bioinorganic and Organometallic program supports research on the development of new crystal engineering protocols and their application to the assembly of synthetic zeolite analogs and molecular-based magnetic materials by Professor Christer Aakeroy of the Department of Chemistry at the Kansas State University. This will be accomplished by constructing extended hybrid inorganic/organic architectures using hydrogen-bond interactions and custom-designed ligands, notably substituted pyridines, triazines and pyrimidines. The latter will be used in conjunction with divalent Cu, Co, Mn and Ni ions to produce the molecular magnets. The compounds will be characterized by means of IR, NMR, DSC and X-ray diffraction. The utility of the catalytic support compounds will be examined using the hydrogenation of small alkenes as a model reaction, and the magnetic properties of the metal pyrimidines by means of a SQUID magnetometer.The goal of this research is to develop a fundamental understanding of the principles of crystal engineering based on molecular self-assembly and to use these principles to synthesize materials with useful physical properties. In particular, catalytic supports and molecular magnets will be produced which have important applications in the petrochemical and information technology industries. The students involved in this project will learn a breadth of skills in both synthesis and instrumental methods, and gain experience which links fundamental chemistry with commercial use.