Fig. 7: Theoretical calculations.
From: Solution-synthesized stable triaza[4]triangulene triradical with a quartet ground state
a Frontier molecular orbitals of quartet 1 calculated at UB3LYP-D3(BJ)/def2-TZVP level; b NICS(1)zz values at the center of each aromatic ring and NICS(1)zz grids for quartet 1 with the substituents omitted.
