Studing metal complexes of organic molecules has attracted great attention to explore the mechanisms of charge transfer through organometallic single molecules. In this work, we investigate the optoelectronic properties of diphenyl - bipyridine coordination chloride transition metal complex. By varying the transition metal in the group of Co, Cu, Fe, Mg, Ru and Zn atoms, we demonstrate the ability to manipulate the optical and electronic properties of the system. Density function theory (DFT) calculations with B3LYP functional are used to determine electronic properties of the metallo-molecules, including ionization potential, electronic affinity, energy gap, electronegativity, hardness, softness, and dipole moment. To understand the optical performance of the systems, we consider their absorption spectra in the ultraviolet and infrared regions, in the framework of time-dependent DFT. We argue that the six metallic atoms have the ability to tune the optoelectronic properties of the complex molecules.
Mohammed Hadi,H. and Al-Galiby,Q. (2022). Tuning the optoelectronic properties of Metallo-diphenyl-bipyridine coordination chloride complex. Iranian Journal of Physics Research, 22(3), 127-131. doi: 10.47176/ijpr.22.3.61502
MLA
Mohammed Hadi,H. , and Al-Galiby,Q. . "Tuning the optoelectronic properties of Metallo-diphenyl-bipyridine coordination chloride complex", Iranian Journal of Physics Research, 22, 3, 2022, 127-131. doi: 10.47176/ijpr.22.3.61502
HARVARD
Mohammed Hadi H., Al-Galiby Q. (2022). 'Tuning the optoelectronic properties of Metallo-diphenyl-bipyridine coordination chloride complex', Iranian Journal of Physics Research, 22(3), pp. 127-131. doi: 10.47176/ijpr.22.3.61502
CHICAGO
H. Mohammed Hadi and Q. Al-Galiby, "Tuning the optoelectronic properties of Metallo-diphenyl-bipyridine coordination chloride complex," Iranian Journal of Physics Research, 22 3 (2022): 127-131, doi: 10.47176/ijpr.22.3.61502
VANCOUVER
Mohammed Hadi H., Al-Galiby Q. Tuning the optoelectronic properties of Metallo-diphenyl-bipyridine coordination chloride complex. Dear user; Recently we have changed our software to Sinaweb. If you had already registered with the old site, you may use the same USERNAME but you need to change your password. To do so at the first use, please choose, 2022; 22(3): 127-131. doi: 10.47176/ijpr.22.3.61502
