Preparation of Paramagnetic Coordination Complexes and Molecular Materials with Designed Magnetic Properties

该奖项在无机，生物无机和有机化学计划支持教授大卫舒尔茨的北卡罗来纳州州立大学的研究探索分子设计，合成和表征新的磁性分子固体。 这些新的磁性配位聚合物将结合配体，包括螯合醌甲基半醌（QMSQ）配体或由多个化学上不同的顺磁性官能团组成的异自旋双自由基。 该项目旨在研究有机分子中的供体-受体相互作用是否可用于控制交换偶联。 从这些系统的研究中获得的知识将增加我们对磁性分子固体的基本性质的理解，包括供体-受体分子中的电子转移矩阵元素和双自由基中的交换相互作用。 这项研究将刺激理论家努力了解单分子中的磁相互作用，并可能最终推进这些材料应用所需的化学，例如在信息存储技术中。这项研究旨在开发新的自旋电子或“自旋电子”分子材料，这些材料可以提供自旋的组合优势（例如，可切换的系统）和分子功能性（例如，氧化还原活性、近红外吸收等）。 这项研究将允许对新结构进行系统研究，以解决单分子磁性中的重大问题，并可能导致新的可切换的微波吸收材料，可用于安全应用或信息存储技术的材料。 研究生，本科生和博士后将在前沿无机化学计划中接受新分子磁性材料合成和表征方面的优秀培训。

This award in the Inorganic, Bioinorganic and Organometallic Chemistry program supports Professor David Shultz of North Carolina State University for research exploring the molecular design, synthesis, and characterization of new magnetic molecular solids. These new magnetic coordination polymers will incorporate ligands including chelating quinone methide semiquinone (QMSQ) ligands or heterospin biradicals comprised of multiple, chemically distinct paramagnetic functional groups. The project aims to investigate whether donor-acceptor interactions in organic molecules can be used to control exchange coupling. The knowledge gained from these systematic studies will increase our understanding of fundamental properties in magnetic molecular solids, including electron transfer matrix elements in donor-acceptor molecules and exchange interactions in biradicals. This research will stimulate theoreticians working to understand magnetic interactions in single molecules, and may ultimately advance the chemistry needed for the applications of these materials, for example, in information storage technologies. The research is aimed at the development of new spin-electronic or "spintronic" molecular materials that may provide combined advantages of spin (e.g., bistable, switchable systems) and molecular functionality (e.g., redox activity, near-IR absorption, etc.). This research will allow systematic investigations of novel structures to address significant issues in single molecule magnetism, and could result in new, switchable, microwave-absorbing materials that could be used for security applications or in materials for information storage technologies. Graduate students, undergraduate students and postdoctoral associates will receive excellent training in synthesis and characterization of new molecular magnetic materials in a forefront inorganic chemistry program.