Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2‑Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization

Two novel Cu­(II)-based metal–organic
frameworks [C40H34Cu2N6O18 (1) and C20H18CuN2O10 (2)] have been synthesized using
2-aminopyrimidine or pyrazine
ligands and phthalate ion and characterized spectroscopically and
by X-ray single-crystal diffraction. Both 1 and 2 show electrical conductivity and photosensitivity, evidencing
their potentiality in optoelectronic device applications. Experimental
and theoretical investigations revealed that the electrical conductivity
under irradiation of visible light increases compared to that under
dark condition (photosensitive Schottky barrier diode behavior), especially
in complex 2. Both 1 and 2 have
been successfully applied in technologically challenging thin-film
active devices.