EAPSI:Towards Combining Magnetic Switching with Conductivity in Molecular Materials

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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.