Fig. 13

Optimized molecular structure and Frontier molecular orbitals (HOMO and LUMO) of Tetra-Pz-Ortho and Tetra-Pz-Para, as neutral molecules.

Optimized molecular structure and Frontier molecular orbitals (HOMO and LUMO) of Tetra-Pz-Ortho and Tetra-Pz-Para, as neutral molecules.