Ozdemi, N.Dayan, O.2025-01-272025-01-2720200022-47661573-8779https://doi.org/10.1134/S0022476620100091https://hdl.handle.net/20.500.12428/22627The title molecule is prepared by the Schiff base reaction. The structural properties of the compound are described using FTIR, H-1 and C-13 NMR, and absorption spectroscopies and single-crystal X-ray diffraction. Some quantum chemical calculations of the compound (molecular structure, vibrational wavenumbers and gauge including atomic orbital, H-1 and C-13 NMR chemical shifts) are executed using the density functional theory method at the B3LYP/6-311++G(d,p) level of theory. Additionally, electronic spectra of the compound are computed using the time-dependent density functional theory (TDDFT) method under the above conditions. A comparison of the experimental and theoretical findings reveals that a good correlation between them is acquired.eninfo:eu-repo/semantics/closedAccessbenzenesulfonateX-ray structurespectroscopyDFT calculationArticle61101575158410.1134/S0022476620100091Q4WOS:0005987751000092-s2.0-85106772218Q3