Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study
Authors
Lović, JelenaMašulović, Aleksandra
Lađarević, Jelena
Vitnik, Vesna
Vitnik, Željko
Avramov Ivić, Milka
Mijin, Dušan
Article (Published version)
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In this work, the electrooxidation ability of nine pyridones was evaluated using cyclic
(CV) and square-wave voltammetry (SWV) in Britton–Robinson (BR) aqueous buffer solutions on a
glassy carbon electrode (GC). The dependence of electrochemical activity on pyridone structure was
elucidated by means of experimentally obtained spectra and quantum chemical calculations. Firstly, it
was shown that electrochemical activity is determined by the –OH group as a substituent in position
6 of the pyridone ring. By coupling the experimentally obtained UV-Vis spectra and DFT calculations,
the most stable forms, both protonated and deprotonated, were defined. The calculated values are
consistent with the electrochemical behavior observed, indicating that the deprotonated anionic form
was the most electrochemically active. Moreover, the impact of the substituent in position 3 of the
pyridone scaffold was discussed
Keywords:
2-pyridones / cyclic voltammetry / square-wave voltammetry / DFT calculations / electrooxidationSource:
Applied Sciences, 2023, 13, 18, 10276-Publisher:
- MDPI
Funding / projects:
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-MESTD-inst-2020-200026)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200287 (Innovation Center of the Faculty of Technology and Metallurgy) (RS-MESTD-inst-2020-200287)
- Ministry of Science, Technological Development and Innovation of the Republic of Serbia, institutional funding - 200135 (University of Belgrade, Faculty of Technology and Metallurgy) (RS-MESTD-inst-2020-200135)
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IHTMTY - JOUR AU - Lović, Jelena AU - Mašulović, Aleksandra AU - Lađarević, Jelena AU - Vitnik, Vesna AU - Vitnik, Željko AU - Avramov Ivić, Milka AU - Mijin, Dušan PY - 2023 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/6601 AB - In this work, the electrooxidation ability of nine pyridones was evaluated using cyclic (CV) and square-wave voltammetry (SWV) in Britton–Robinson (BR) aqueous buffer solutions on a glassy carbon electrode (GC). The dependence of electrochemical activity on pyridone structure was elucidated by means of experimentally obtained spectra and quantum chemical calculations. Firstly, it was shown that electrochemical activity is determined by the –OH group as a substituent in position 6 of the pyridone ring. By coupling the experimentally obtained UV-Vis spectra and DFT calculations, the most stable forms, both protonated and deprotonated, were defined. The calculated values are consistent with the electrochemical behavior observed, indicating that the deprotonated anionic form was the most electrochemically active. Moreover, the impact of the substituent in position 3 of the pyridone scaffold was discussed PB - MDPI T2 - Applied Sciences T1 - Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study VL - 13 IS - 18 SP - 10276 EP - DO - 10.3390/ app131810276 ER -
@article{ author = "Lović, Jelena and Mašulović, Aleksandra and Lađarević, Jelena and Vitnik, Vesna and Vitnik, Željko and Avramov Ivić, Milka and Mijin, Dušan", year = "2023", abstract = "In this work, the electrooxidation ability of nine pyridones was evaluated using cyclic (CV) and square-wave voltammetry (SWV) in Britton–Robinson (BR) aqueous buffer solutions on a glassy carbon electrode (GC). The dependence of electrochemical activity on pyridone structure was elucidated by means of experimentally obtained spectra and quantum chemical calculations. Firstly, it was shown that electrochemical activity is determined by the –OH group as a substituent in position 6 of the pyridone ring. By coupling the experimentally obtained UV-Vis spectra and DFT calculations, the most stable forms, both protonated and deprotonated, were defined. The calculated values are consistent with the electrochemical behavior observed, indicating that the deprotonated anionic form was the most electrochemically active. Moreover, the impact of the substituent in position 3 of the pyridone scaffold was discussed", publisher = "MDPI", journal = "Applied Sciences", title = "Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study", volume = "13", number = "18", pages = "10276-", doi = "10.3390/ app131810276" }
Lović, J., Mašulović, A., Lađarević, J., Vitnik, V., Vitnik, Ž., Avramov Ivić, M.,& Mijin, D.. (2023). Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study. in Applied Sciences MDPI., 13(18), 10276-. https://doi.org/10.3390/ app131810276
Lović J, Mašulović A, Lađarević J, Vitnik V, Vitnik Ž, Avramov Ivić M, Mijin D. Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study. in Applied Sciences. 2023;13(18):10276-. doi:10.3390/ app131810276 .
Lović, Jelena, Mašulović, Aleksandra, Lađarević, Jelena, Vitnik, Vesna, Vitnik, Željko, Avramov Ivić, Milka, Mijin, Dušan, "Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study" in Applied Sciences, 13, no. 18 (2023):10276-, https://doi.org/10.3390/ app131810276 . .