Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine
نویسندگان
چکیده
3-chloro-2-{(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}pyridine (HL) was prepared and its structure elucidated by LC/MS-MS, 1H 13C-NMR, UV-Vis, elemental analysis, FT-Raman FT-IR. All theoretical calculations optimized geometry were obtained from the 6-31G(d,p) basis set calculations. Calculated scaled data of molecule compared with observed FT-IR spectroscopic data. The chemical shifts HL performed in chloroform using same level GIAO method. UV-Vis analyses carried out at three different concentrations ethanol solvents between 240-440 nm; spectra via TD-DFT charge transfer hyperconjugative conjugative interactions analyzed NBO analysis. Furthermore, frontier molecular orbitals (FMOs) electrostatic potential (MEP) also measured This work provides a comprehensive electronic properties, vibration analysis structural information title compund.
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ژورنال
عنوان ژورنال: Gazi university journal of science
سال: 2022
ISSN: ['2147-1762']
DOI: https://doi.org/10.35378/gujs.838992