M. Sc. Rebecca Isenberg (Universität Bonn): Radical Cation Salts and Charge Transfer Compounds with N-Methylpyridoneazine and its Derivatives

The symmetric heterocyclic azines, based on the scaffold N-methylpyridoneazine (MPA, 1), are electron-rich and planar organic donor molecules. 1 undergoes two reversible one elec-tron oxidation steps forming a stable radical cation 1⁺· and an azo-bis(N-methyl-2,2’-pyri-dinium) dication 1²⁺. Their structural and electronic features make them highly attractive can-didates for the generation of organic charge transfer (CT) and radical cation salts with inter-esting magnetic and conducting characteristics.
Reactions with copper(II) halogenides or organic acceptor molecules, as tetracyanoquinodi-methane (TCNQ), enabled the synthesis of new solid materials by electron transfer reactions. X-ray single crystal determination, magnetic and conductivity measurements as band struc-ture and density of state calculations provide insights about their electronic properties.