Theoretical investigation of an aromatic bridged oxime derivative
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Abstract (EN)
In this study, the spectroscopic and structural values of the aromatic bridged oxime ligandsynthesized using a special package program were analyzed using DFT/B3LYP; bond length, bond angles and dihedral angle calculated physically and theoretically with the 6-31G(d,p) basis set were examined. These molecular structural features of the ligands were determined by FT-IR and NMR spectra. Vibration mode determinations were made based on potential energy distribution (PED). In addition, HOMO-LUMO analyzes of the structure were performed with this method. According to the results obtained, it was observed that the experimental data and theoretical data gave similar results.
Author
Gökhan Dumlu
How to Cite
Gökhan Dumlu (Master Thesis). Theoretical investigation of an aromatic bridged oxime derivative, 2024, Pamukkale University.
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