Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study
2023
Аутори
Mašulović, AleksandraLović, Jelena D.
Lađarević, Jelena
Vitnik, Vesna
Vitnik, Željko
Avramov Ivić, Milka
Mijin, Dušan
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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 aglassy carbon electrode (GC). The dependence of electrochemical activity on pyridone structure waselucidated by means of experimentally obtained spectra and quantum chemical calculations. Firstly, itwas shown that electrochemical activity is determined by the –OH group as a substituent in position6 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 areconsistent with the electrochemical behavior observed, indicating that the deprotonated anionic formwas the most electrochemically active. Moreover, the impact of the substituent in position 3 of thepyridone scaffold was discussed
Кључне речи:
2-pyridones / cyclic voltammetry / square-wave voltammetry / DFT calculations / electrooxidationИзвор:
Applied Sciences, 2023, 13, 18, 10276-Издавач:
- MDPI
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200287 (Иновациони центар Технолошко-металуршког факултета у Београду доо) (RS-MESTD-inst-2020-200287)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200135 (Универзитет у Београду, Технолошко-металуршки факултет) (RS-MESTD-inst-2020-200135)
DOI: 10.3390/app131810276
ISSN: 2076-3417
WoS: 001071160400001
Scopus: 2-s2.0-85172989251
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/6601http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6686
Колекције
Институција/група
Inovacioni centarTY - JOUR AU - Mašulović, Aleksandra AU - Lović, Jelena D. 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 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6686 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 aglassy carbon electrode (GC). The dependence of electrochemical activity on pyridone structure waselucidated by means of experimentally obtained spectra and quantum chemical calculations. Firstly, itwas shown that electrochemical activity is determined by the –OH group as a substituent in position6 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 areconsistent with the electrochemical behavior observed, indicating that the deprotonated anionic formwas the most electrochemically active. Moreover, the impact of the substituent in position 3 of thepyridone scaffold was discussed PB - MDPI T2 - Applied Sciences T1 - Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study IS - 18 SP - 10276 VL - 13 DO - 10.3390/app131810276 ER -
@article{ author = "Mašulović, Aleksandra and Lović, Jelena D. 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 aglassy carbon electrode (GC). The dependence of electrochemical activity on pyridone structure waselucidated by means of experimentally obtained spectra and quantum chemical calculations. Firstly, itwas shown that electrochemical activity is determined by the –OH group as a substituent in position6 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 areconsistent with the electrochemical behavior observed, indicating that the deprotonated anionic formwas the most electrochemically active. Moreover, the impact of the substituent in position 3 of thepyridone scaffold was discussed", publisher = "MDPI", journal = "Applied Sciences", title = "Structure-Dependent Electrochemical Behavior of 2-Pyridone Derivatives: A Combined Experimental and Theoretical Study", number = "18", pages = "10276", volume = "13", doi = "10.3390/app131810276" }
Mašulović, A., Lović, J. D., 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
Mašulović A, Lović JD, 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 .
Mašulović, Aleksandra, Lović, Jelena D., 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 . .