Molecular Magnets Based on a Modular Approach: Investigation of Coupling, Anisotropy and Electronic Factors on Bistability (Final Report)
The research in this DOE funded period led to the design of new molecular materials with enhanced magnetic properties for mononuclear Single Molecule Magnets (SMMs) owing to strong single-ion anisotropy and improved magnetic coupling in transition and rare earth complexes. We based experimental efforts on verifying/refuting results of theorists who made predictions about compounds that would be excellent candidates for behaving as single molecule magnets. This phase of the project was aimed at advancing the knowledge gained from our recent synthetic and magnetic studies and taking the work to a new level by applying more extensive theory at the ab initio and DFT levels. Students and postdoctoral researches on the project synthesized all of the compounds and determined their structures as well as their magnetic properties. Along with the PI, the co-workers interpreted the data and wrote publications. Twenty-one publications acknowledging DOE support have been published or are in press.