Lattice Dynamics and Bistability of Electronically Labile Complexes

该奖项在无机，生物无机和有机化学 该计划支持大卫N博士的研究。化学家亨德里克森 加州大学圣地牙哥分校晶格动力学系 和电子不稳定复合物的双稳定性。 详细研究 将在具有两个或更多个过渡金属络合物的过渡金属络合物上进行 能量相近的电子态。 对于其中 振动模式与电子模式紧密耦合， 晶格参数，例如由改性溶剂或 反离子可导致自旋交叉或相变， 响应光或其他外部参数的变化。 主 该项目的目标是表征磁双稳态， 分子种类特别是一系列 将探测十二锰氧代羧酸盐络合物以表征 影响势能势垒的因素及势能势垒的形成机理 这些单分子磁体中的共振磁化隧穿 化合物.光诱导价态互变异构反应的研究 钴配合物与铁配合物的自旋交叉 将继续 然后将寻求将这些物质附着到 功能化表面或聚合物。 这个项目的长期目标是开发分子或集合 用于电子电路和设备的分子。在这 研究，含有少量金属原子的化合物将被 测试对外部物理反应的敏感性和特异性 刺激。只有几个分子的例子， 响应于外部磁场变化的变化是已知的。 在 本调查将准备更多的例子， 控制他们行为的人将被决定。这些结果可能导致 改变自旋、电子数或磁性的纳米级器件 响应电、磁、光或热的特性 变化许多应用，如交换机或信息存储， 预想的除了科学内容， 这个项目是培养青年科学家。

This award in the Inorganic, Bioinorganic, and Organometallic Chemistry Program supports research by Dr. David N. Hendrickson of the Chemistry Department, University of California at San Diego, on lattice dynamics and bistability of electronically labile complexes. Detailed studies will be carried out on transition metal complexes that have two or more electronic states that are close in energy. For compounds in which vibrational modes are closely coupled with electronic modes, changes in crystal lattice parameters such as those caused by modifying solvent or counter ions can result in spin-crossover or phase transitions in response to changes in light or other external parameters. A primary goal of this project is to characterize magnetic bistability in molecular species. Specifically the magnetic behavior of a series of dodecamanganese-oxo-carboxylate complexes will be probed to characterize the factors affecting the potential-energy barrier and the mechanism of resonant magnetization tunneling in these single-molecule magnets compounds. Investigation of photoinduced valence tautomerization in cobalt complexes and spin crossover in opically sensitive iron complexes will continue. Methods will then be sought to attach these species to a functionalized surface or polymer. The long-term goal of this project is to develop molecules or collections of molecules for use in electronic circuits and devices. In this research, compounds containing a small number of metal atoms will be tested for sensitivity and specificity of response to external physical stimuli. Only a few examples of molecules in which the magnetic field changes in response to changes in external magnetic field are known. In this investigation additional examples will be prepared and the factors that control their behavior will be determined. These results can lead to nanoscale devices which change spin, number of electrons, or magnetic properties in response to electric, magnetic, optical, or thermal changes. Many applications as switches or for information storage can be envisioned. In addition to the scientific content, an important aspect of this project is the training of young scientists.