دراسة نظرية لإمكانية اصطناع بعض مشتقات السيلينيوم العضوية و التحقق من استقرارها بوساطة نظرية تابعية الكثافة DFT B3LYP

Abstract EN

In this paper, we conducted a structural and spectral study using the density functional theory (DFT/B3LYP) for some organic selenium compounds to find out the most stable electronic structure, and to make use of infrared spectroscopy to determine the bonding sites of Se with the rest of the atoms, and ultraviolet spectroscopy to determine the maximum wavelength λmax.

this theoretical study in will be benefited from later by comparing it with the experimental results.