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

[Image: see text] Two novel Cu(II)-based metal–organic frameworks [C(40)H(34)Cu(2)N(6)O(18) (1) and C(20)H(18)CuN(2)O(10) (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.