KSEF R&D Execllence: A Building Block Approach to Construct Cyanometalate Single-Molecule Magnets

The proposed studies will investigate the construction of molecule-based, single-molecule magnetic clusters (SMMs) using cyanometalate building blocks that exhibit significant orbital and spin slate anisotropy. The relationship between blocking temperatures, magnetic, and molecular anisotropy will be probed using a series of structurally related SMMs. Systematic variation of the transition metal centers and oxidation states will afford a series of molecular building blocks that differ in terms of the numbers of unpaired electrons, overall charge, and molecular orbital energies; Jigand modification will allow for further tuning of the electronic and structural preferences of each building block. The research effort is based on three major goals: (1) To prepare a series of magnetically anisotropic first-, second-, and third-row transition metal poly(pyrazolyl)borate di- and tricyanide complexes, (2) Using a building block approach, prepare rectangular SMMs, and (3) Synthesize a series of distorted clusters using sterically demanding ligands to alter the molecular structure. Characterization of the c1usters via infrared, structural, magnetic, and theoretical methods will contribute to our understanding of the factors necessary for constructing single-molecule magnets with enhanced blocking temperatures relative to known examples. Data storage devices constructed from the SMMs may ultimately afford several patents and a start-up company within the Commonwealth.