Magnetic anisotropy and exchange interactions in lanthanide dimetallofullerenes with lanthanide-lanthanide bonds

• Applicants: Stanislav Avdoshenko, Ph.D.; Dr. Alexey A. Popov
• Subject Area: Inorganic Molecular Chemistry - Synthesis and Characterisation ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: since 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 447254686

Realization of single-electron Ln–Ln bonds in dimetallofullerenes breaks paradigms of lanthanide chemistry and leads to molecular magnets with unconventional magnetic properties, which result from a combination of giant exchange interactions with strong magnetic anisotropy. Detailed exploration of different lanthanide dimetallofullerenes, containing two of the same or mixed metals, may give exceptional control over the spin properties of such systems. At the same time, a reliable theoretical description of the spin properties of dimetallofullerenes with single-electron Ln–Ln bonds remains a challenge because of the strong interaction of 4f- and valence-electron spins in these molecules. In this project, the efforts in the synthesis, magnetic characterization, and high level ab initio computations will be combined to develop a unified theory of the magnetic anisotropy and exchange interactions in dinuclear Ln systems featuring an interplay of 4f and valence shell magnetism. The project will result in a series of new lanthanide dimetallofullerenes with single-electron Ln–Ln bonds and unconventional electronic and magnetic properties as well as in the development of reliable theoretical approaches for the interpretation and prediction of the magnetic properties of such systems.

• DFG Programme: Research Grants