Year: 2025
Type: article
Abstract: 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.
Institution: University of Babylon
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4412059028