Synthesis and electronic and magnetic properties of new endohedral fullerenes with hybrid lanthanidetransition metal clusters

• Applicant: Dr. Alexey A. Popov
• Subject Area: Solid State and Surface Chemistry, Material Synthesis ; Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
• Term: from 2011 to 2018
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 200062745

The project is focused on the synthesis and characterization of endohedral metallofullerenes (EMFs, the fullerenes with metallic atoms or clusters in their inner space) with new electronic, optical and magnetic properties by designing and tuning specific interactions within the endohedral clusters and between the endohedral species and the carbon cages. New EMFs combining various 4f as well as 3d and 4f metal atoms in one molecule will be synthesized using reactive atmosphere method and different active gases. Mechanism of the EMF formation in the arc-discharge sythesis will be studied using the reagents with enhanced content of 13C isotope. The electronic structure of EMFs will be studied by multiple electrochemical and spectroscopic techniques and quantum-chemical calculations. Luminescent properties as well as charge and energy transfer in photoexcited states will be studied by time-resolved luminescence spectroscopy. These data will be accompanied by electrochemical and in situ Vis-NIR, ESR, and NMR spectroelectrochemical studies of the different charged states of EMFs. Magnetic properties of 4f and 3d-4f EMFs will be studied to reveal the influence of magnetic metal atoms on the carbon cage, the nature of the metal-metal exchange interactions in the cluster. The influence of the charge transfer on the magnetic properties will be specifically studied. Interpretation of the experimental results will be based on the DFT computations of the possible molecular structures, spectroscopic properties and dynamics of endohedral atoms and spin density distribution.

• DFG Programme: Research Grants