18 unprecedented 3,6-unsymmetrically disubstituted-1,2,4,5-tetrazines were synthesized, and their spectral and electrochemical properties are studied. A systematic theoretical investigation based on DFT calculations was carried out.
Having the HOMO of chromium(iii) tris-(8-hydroxyquinolinate) mainly on metal 3d orbitals and the LUMO on the ligand leads to increased electrochemical stability.