Resolution Infrared and UV-Vis spectrum of Naphthalene and Anthracene Compounds

Molecular physics is studying a monocyclic aromatic hydrocarbon molecule that contains two substances: naphthalene and anthracene. The research work involved “ground state calculations at the B3LYP/6-31G level” to look into the best mix of chemicals and their spectral features for (C10H8) and (C14H10). Theoretical calculations of infrared spectroscopy and visible and ultraviolet spectrum calculations were performed for both compounds. The two compounds were studied in the pure state and then various impurities (aluminum, copper, silicon, nickel and nitrogen) were added and it was found that there are clear differences between the studied spectra. It has been observed that the theoretical spectra correspond well to the experimental spectra.