EPR of Photoexcited Triplet-State Acceptor Porphyrins
Ashley J. Redman, Gabriel Moise, Sabine Richert, E. Peterson, William K. Myers, Michael J. Therien, Christiane R. Timmel
Abstract
-perfluoroalkyl-substituted zinc porphyrin monomers with orthorhombic symmetries, where interpretation of experimental data must proceed with caution and the validity of the assumptions used in the analysis must be scrutinized. The EPR data are discussed alongside quantum chemical calculations, employing both DFT and CASSCF methodologies. Despite some success of the latter in quantifying the magnitude of the ZFS interaction, the results clearly provide motivation to develop improved methods for ZFS calculations of highly delocalized organic triplet states.
Topics & Concepts
Delocalized electronElectron paramagnetic resonanceTriplet stateSpintronicsHyperfine structurePorphyrinChemistrySpin statesMolecular physicsChemical physicsMoleculeAtomic physicsPhotochemistryCondensed matter physicsPhysicsQuantum mechanicsOrganic chemistryFerromagnetismInorganic chemistryPorphyrin and Phthalocyanine ChemistryMagnetism in coordination complexesElectron Spin Resonance Studies