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Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine

Year 2022, Volume: 35 Issue: 2, 404 - 419, 01.06.2022

Tufan Topal

https://doi.org/10.35378/gujs.838992
Cited By: 1

Abstract

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

Keywords

DFT calculations Gaussian 09W FT-Raman Hydrazone Pyridine

Supporting Institution

-

Project Number

-

Thanks

I thank lecturer Süleyman Çelik for his contributions.

References

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Year 2022, Volume: 35 Issue: 2, 404 - 419, 01.06.2022

Tufan Topal

https://doi.org/10.35378/gujs.838992
Cited By: 1

Abstract

Project Number

-

References

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There are 48 citations in total.

Details

Primary Language English
Subjects Engineering
Journal Section Chemistry
Authors

Tufan Topal 0000-0001-6550-4662

Project Number -
Publication Date June 1, 2022
Published in Issue Year 2022 Volume: 35 Issue: 2

Cite

APA Topal, T. (2022). Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine. Gazi University Journal of Science, 35(2), 404-419. https://doi.org/10.35378/gujs.838992
AMA Topal T. Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine. Gazi University Journal of Science. June 2022;35(2):404-419. doi:10.35378/gujs.838992
Chicago Topal, Tufan. “Spectroscopic and Quantum Chemical Studies on the Structure of 3-Chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine”. Gazi University Journal of Science 35, no. 2 (June 2022): 404-19. https://doi.org/10.35378/gujs.838992.
EndNote Topal T (June 1, 2022) Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine. Gazi University Journal of Science 35 2 404–419.
IEEE T. Topal, “Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine”, Gazi University Journal of Science, vol. 35, no. 2, pp. 404–419, 2022, doi: 10.35378/gujs.838992.
ISNAD Topal, Tufan. “Spectroscopic and Quantum Chemical Studies on the Structure of 3-Chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine”. Gazi University Journal of Science 35/2 (June 2022), 404-419. https://doi.org/10.35378/gujs.838992.
JAMA Topal T. Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine. Gazi University Journal of Science. 2022;35:404–419.
MLA Topal, Tufan. “Spectroscopic and Quantum Chemical Studies on the Structure of 3-Chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine”. Gazi University Journal of Science, vol. 35, no. 2, 2022, pp. 404-19, doi:10.35378/gujs.838992.
Vancouver Topal T. Spectroscopic and Quantum Chemical Studies on the Structure of 3-chloro-2-{(2Z)-2-[1-(4 methoxyphenyl)ethylidene]hydrazinyl}pyridine. Gazi University Journal of Science. 2022;35(2):404-19.

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