Controllable structures of metal-ligand Bipyrimidine molecules on electronics devices

Abstract

molecular structures of a series of bipyrimdine's metal-complex molecules that have attention features in different applications such industry and Scientifics. The transition through metal-bridges complexes at molecular structures a significant role on the metal–bridges interactions. Hence, we have demonstrated to use bipyrimdine's complex molecules to show the effect the metal-ligand atom on the electronics and optical properties, and to know pi-conjugated system in all attempts before/ or after replaced one carbon with nitrogen atoms in one or two the pyridine rings. We have used the Gaussian 09 package of programs (hybrid function of B3LYP) in our calculations. The results show the bandgap decreased considerably with the type of metal-ligand atoms, which appear electronic applications at various LUMO-HOMO energy gaps. The results concluded that appeared the FT-IR and UV-vis spectrum, which have viewed different behavior with type of metal complexes.