Metallofullerene photoswitches driven by photoinduced fullerene-to-metal electron transfer
Michal Zalibera, Frank Ziegs, Sandra Schiemenz, Vasilii Dubrovin, Wolfgang Lubitz, Anton Savitsky, Shihu H. M. Deng, Xue‐Bin Wang, Stanislav M. Avdoshenko, Alexey A. Popov
Abstract
N found in the ENDOR study points to a substantial fullerene-to-metal charge transfer in the excited state. These experimental results are rationalized with the help of ground-state and time-dependent DFT calculations, which revealed a substantial variation of the endohedral cluster position in the photoexcited states driven by the predisposition of Sc atoms to maximize their spin population.
Topics & Concepts
PhotoexcitationMetallofullereneFullerenePhotoinduced electron transferPhotoluminescenceElectron paramagnetic resonanceElectron transferEndohedral fullereneCluster (spacecraft)MetalMaterials sciencePhotochemistryChemistryChemical physicsAtomic physicsExcited statePhysicsNuclear magnetic resonanceOptoelectronicsOrganic chemistryMetallurgyComputer scienceProgramming languageFullerene Chemistry and ApplicationsAdvanced Chemical Physics StudiesMolecular Junctions and Nanostructures