Electron Transfer in Trimetal Nitride Metallofullerenes
Two classes of trimetal nitride metallofullerenes, Sc3N@C n (n=68, 78) and MxSc3-xN@C80 (x=0-2), are investigated by Density Functional Theory with respect to their electronic properties and related geometric, energetic, and magnetic features. The substantial electron transfer from the metallic core to the fullerene cage makes these systems promising candidates for nonlinear optical devices. Pronounced magnetic effects associated with complexes that enclose lanthanide constituents suggest their suitability as contrast agents in biomedical imaging.
Hagelberg, Frank; and Wu, Jianhua. 2009. Electron Transfer in Trimetal Nitride Metallofullerenes. AIP Conference Proceedings. Vol.1148 2 702-705. https://doi.org/10.1063/1.3225410 ISSN: 0094-243X ISBN: 9780735406858