Synthesis and Isolation of a Kekulé Hydrocarbon with a Triplet Ground State
Akihiro Shimizu, Tetsuya Morikoshi, Kenji Sugisaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Ryo Shintani
Abstract
Design, synthesis, and isolation of a Kekulé hydrocarbon with a triplet ground state is described. Its triplet ground state was unambiguously confirmed by ESR experiments, and the structure and fundamental physical properties were also revealed. The key feature of the molecular design is the decrease in the bonding interaction in the singlet state by aromatic stabilization of benzene rings and the increase of the exchange interaction of unpaired electrons which are favorable for the triplet state. These results contribute to the development of hydrocarbon-based organic magnetic materials.
Topics & Concepts
Unpaired electronGround stateSinglet stateTriplet stateChemistryHydrocarbonBenzeneElectronComputational chemistryChemical physicsPhotochemistryMoleculeOrganic chemistryAtomic physicsPhysicsExcited stateQuantum mechanicsSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsOrganic and Molecular Conductors Research