Synthesis and characterization of fluorenone derivatives with electrical properties explored using density functional theory (DFT).

ABSTRACT: This study provides thorough computational and experimental assessments of four types of novel synthesized thiosemicarbazones. The compounds were effectively synthesized using a condensation reaction between thiosemicarbazide and fluorenone, producing a remarkable range of 70-88%. Additional chemical structures were examined utilizing spectroscopic methods, including Fourier-transform infrared spectroscopy (FTIR), NMR spectroscopy, and ultraviolet-visible spectroscopy. The computational analyses utilized DFT using the M06/6-311G (d, p) technique. The electrical characteristics, including the stability of orbitals via energy exchange between a donor and acceptor, can be evaluated by natural bond orbital (NBO) analysis. The nonlinear optical (NLO) properties were analyzed to detect any prohi

SUBMITTER: Farooq MU 

PROVIDER: S-EPMC11584800 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature