EAPSI:Towards Combining Magnetic Switching with Conductivity in Molecular Materials

该EAPSI项目旨在通过将不同功能的分子组合在同一结构中合成新型的、双重用途的分子材料。具体地说，某些铁配合物在温度、压力或光照变化时表现出磁开关，将与已知导电的分子片段发生化学联系。我们将通过晶体结构分析和磁测量来研究结构-性能关系，以揭示影响这种双功能材料行为的因素。这项研究的见解将导致对分子材料的更深入了解，这些材料可能用于高密度数据存储、光开关和分子传感器等现代技术。该项目将与新西兰达尼丁奥塔哥大学的Sally Brooker博士及其同事合作进行。宿主实验室？在这一利基领域的专业知识将导致一个富有成效和信息丰富的国际合作，这将有利于新西兰和美国的研究小组。过渡金属化合物中的自旋交叉（SCO）是分子中磁性双稳性最令人着迷的现象之一。虽然最受欢迎的SCO配合物是FeII离子在六个氮原子环境中的配合物，但本项目将在不寻常的N4S2配位环境中探索SCO。一种常见的氧化还原活性有机分子，四硫代富勒烯（TTF），通过N2S2配位袋与FeII离子配位，将允许在同一材料中结合SCO和电导率。这种材料设计的最终目标是实现FeII中心的自旋态开关与TTF单元提供的有机子结构的电导率之间的协同作用。合成材料的全面表征将在现场完成，使用仪器方法的组合来研究获得的材料的磁性、结构、电化学、光谱和热力学性质。该奖项是与新西兰皇家学会合作资助的。

This EAPSI project aims to synthesize novel, dual-purpose molecular materials by combining molecules of different functionalities in the same structure. Specifically, certain iron complexes which exhibit magnetic switching upon changes in temperature, pressure, or light irradiation will be chemically linked to molecular fragments known to conduct electricity. The structure-property relationship will be investigated by crystal structure analysis and magnetic measurements to reveal factors that affect the behavior of such bi-functional materials. Insights from this study will lead to a greater understanding of molecular materials that may be used in such modern technologies as high-density data storage, optical switches, and molecular sensors. The project will be carried out in collaboration with Dr. Sally Brooker and her colleagues at the University of Otago in Dunedin, New Zealand. The host lab?s expertise in this niche field will result in a productive and informative international collaboration that will benefit both New Zealand and US research groups. Spin crossover (SCO) in transition metal compounds is one of the most fascinating phenomena of magnetic bistability in molecules. While the most popular SCO complexes are those of the FeII ion in an environment of six nitrogen atoms, the present project will explore the SCO in an unusual N4S2 coordination environment. Coordination of a common redox-active organic molecule, tetrathiafulvalene (TTF), to the FeII ion through a N2S2 coordinating pocket will allow for combining SCO and conductivity in the same material. The eventual goal of such material design is to attain synergy between the spin-state switching at the FeII center and the conductivity of the organic substructure provided by the TTF units. Thorough characterization of the synthesized materials will be completed on-site using a combination of instrumental methods to investigate magnetic, structural, electrochemical, spectroscopic, and thermodynamic properties of the materials obtained. This award is funded in collaboration with the Royal Society of New Zealand.