TY  - JOUR
AU  - Suručić, Ljiljana
AU  - Janjić, Goran V.
AU  - Rakić, Aleksandra A.
AU  - Nastasović, Aleksandra B.
AU  - Popović, Aleksandar R.
AU  - Milčić, Miloš K.
AU  - Onjia, Antonije
PY  - 2019
UR  - http://cherry.chem.bg.ac.rs/handle/123456789/5059
AB  - With regard to the harmful effects of heavy metals on human health and the environment, the demand for synthesis and
investigation of macromolecules with large capacity of harmful substances sorption is ever greater. Quantum-chemical methods
may be applied in structural modeling, prediction, and characterization of such molecules and reactions. Sorption of metal ions
(Cu2+, Cd2+, Co2+, and Ni2+) to triethylenetetramine-functionalized copolymer poly(GMA-co-EGDMA)-teta was successfully
modeled by quantumchemical calculations, at the B3LYP//6–311++G**/lanl2dz level. Optimized structures of metal complexes
were used for calculation of real binding energy of metal ion within the complex (ΔEr). Solvent and hydrolyzation effects were
essential for obtaining the objective values. Solvent effect was included inΔEr by using the total solvation energy for reaction of
formation of tetaOH complex (ΔEs1, the first approach) or by using dehydration energy of free metal ion (ΔEs2, the second
approach). Experimental results were confirmed in our theoretical analyses (using the second approach).
PB  - Springer-Verlag GmbH
T2  - Journal of Molecular Modeling
T1  - Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution
VL  - 25
SP  - 177
DO  - 10.1007/s00894-019-4053-0
ER  - 

@article{
author = "Suručić, Ljiljana and Janjić, Goran V. and Rakić, Aleksandra A. and Nastasović, Aleksandra B. and Popović, Aleksandar R. and Milčić, Miloš K. and Onjia, Antonije",
year = "2019",
abstract = "With regard to the harmful effects of heavy metals on human health and the environment, the demand for synthesis and
investigation of macromolecules with large capacity of harmful substances sorption is ever greater. Quantum-chemical methods
may be applied in structural modeling, prediction, and characterization of such molecules and reactions. Sorption of metal ions
(Cu2+, Cd2+, Co2+, and Ni2+) to triethylenetetramine-functionalized copolymer poly(GMA-co-EGDMA)-teta was successfully
modeled by quantumchemical calculations, at the B3LYP//6–311++G**/lanl2dz level. Optimized structures of metal complexes
were used for calculation of real binding energy of metal ion within the complex (ΔEr). Solvent and hydrolyzation effects were
essential for obtaining the objective values. Solvent effect was included inΔEr by using the total solvation energy for reaction of
formation of tetaOH complex (ΔEs1, the first approach) or by using dehydration energy of free metal ion (ΔEs2, the second
approach). Experimental results were confirmed in our theoretical analyses (using the second approach).",
publisher = "Springer-Verlag GmbH",
journal = "Journal of Molecular Modeling",
title = "Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution",
volume = "25",
pages = "177",
doi = "10.1007/s00894-019-4053-0"
}

Suručić, L., Janjić, G. V., Rakić, A. A., Nastasović, A. B., Popović, A. R., Milčić, M. K.,& Onjia, A.. (2019). Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution. in Journal of Molecular Modeling
Springer-Verlag GmbH., 25, 177.
https://doi.org/10.1007/s00894-019-4053-0

Suručić L, Janjić GV, Rakić AA, Nastasović AB, Popović AR, Milčić MK, Onjia A. Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution. in Journal of Molecular Modeling. 2019;25:177.
doi:10.1007/s00894-019-4053-0 .

Suručić, Ljiljana, Janjić, Goran V., Rakić, Aleksandra A., Nastasović, Aleksandra B., Popović, Aleksandar R., Milčić, Miloš K., Onjia, Antonije, "Theoretical Modeling of Sorption of Metal Ions on Amino-Functionalized Macroporous Copolymer in Aqueous Solution" in Journal of Molecular Modeling, 25 (2019):177,
https://doi.org/10.1007/s00894-019-4053-0 . .

TY  - DATA
AU  - Rakić, Aleksandra A.
AU  - Vukomanović, Marija
AU  - Trifunović, Snežana S.
AU  - Travas-Sejdić, Jadranka
AU  - Chaudhary, Omer Javed
AU  - Horsky, Jiri
AU  - Ćirić-Marjanović, Gordana
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/3422
PB  - Elsevier Science Sa, Lausanne
T2  - Synthetic Metals
T1  - Supplementary data for article: Rakić, A. A.; Vukomanović, M.; Trifunović, S.; Travas-Sejdic, J.; Chaudhary, O. J.; Horský, J.; Ćirić-Marjanović, G. Solvent Effects on Dopant-Free PH-Falling Polymerization of Aniline. Synthetic Metals 2015, 209, 279–296. https://doi.org/10.1016/j.synthmet.2015.07.031
UR  - https://hdl.handle.net/21.15107/rcub_cherry_3422
ER  - 

@misc{
author = "Rakić, Aleksandra A. and Vukomanović, Marija and Trifunović, Snežana S. and Travas-Sejdić, Jadranka and Chaudhary, Omer Javed and Horsky, Jiri and Ćirić-Marjanović, Gordana",
year = "2015",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Synthetic Metals",
title = "Supplementary data for article: Rakić, A. A.; Vukomanović, M.; Trifunović, S.; Travas-Sejdic, J.; Chaudhary, O. J.; Horský, J.; Ćirić-Marjanović, G. Solvent Effects on Dopant-Free PH-Falling Polymerization of Aniline. Synthetic Metals 2015, 209, 279–296. https://doi.org/10.1016/j.synthmet.2015.07.031",
url = "https://hdl.handle.net/21.15107/rcub_cherry_3422"
}

Rakić, A. A., Vukomanović, M., Trifunović, S. S., Travas-Sejdić, J., Chaudhary, O. J., Horsky, J.,& Ćirić-Marjanović, G.. (2015). Supplementary data for article: Rakić, A. A.; Vukomanović, M.; Trifunović, S.; Travas-Sejdic, J.; Chaudhary, O. J.; Horský, J.; Ćirić-Marjanović, G. Solvent Effects on Dopant-Free PH-Falling Polymerization of Aniline. Synthetic Metals 2015, 209, 279–296. https://doi.org/10.1016/j.synthmet.2015.07.031. in Synthetic Metals
Elsevier Science Sa, Lausanne..
https://hdl.handle.net/21.15107/rcub_cherry_3422

Rakić AA, Vukomanović M, Trifunović SS, Travas-Sejdić J, Chaudhary OJ, Horsky J, Ćirić-Marjanović G. Supplementary data for article: Rakić, A. A.; Vukomanović, M.; Trifunović, S.; Travas-Sejdic, J.; Chaudhary, O. J.; Horský, J.; Ćirić-Marjanović, G. Solvent Effects on Dopant-Free PH-Falling Polymerization of Aniline. Synthetic Metals 2015, 209, 279–296. https://doi.org/10.1016/j.synthmet.2015.07.031. in Synthetic Metals. 2015;.
https://hdl.handle.net/21.15107/rcub_cherry_3422 .

Rakić, Aleksandra A., Vukomanović, Marija, Trifunović, Snežana S., Travas-Sejdić, Jadranka, Chaudhary, Omer Javed, Horsky, Jiri, Ćirić-Marjanović, Gordana, "Supplementary data for article: Rakić, A. A.; Vukomanović, M.; Trifunović, S.; Travas-Sejdic, J.; Chaudhary, O. J.; Horský, J.; Ćirić-Marjanović, G. Solvent Effects on Dopant-Free PH-Falling Polymerization of Aniline. Synthetic Metals 2015, 209, 279–296. https://doi.org/10.1016/j.synthmet.2015.07.031" in Synthetic Metals (2015),
https://hdl.handle.net/21.15107/rcub_cherry_3422 .

TY  - JOUR
AU  - Rakić, Aleksandra A.
AU  - Vukomanović, Marija
AU  - Trifunović, Snežana S.
AU  - Travas-Sejdić, Jadranka
AU  - Chaudhary, Omer Javed
AU  - Horsky, Jiri
AU  - Ćirić-Marjanović, Gordana
PY  - 2015
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1996
AB  - Polymerizations of aniline were conducted in the mixtures of water and polar organic solvents (50 vol.%): acetone, acetonitrile, dimethylsulfoxide and ethanol, by using ammonium peroxydisulphate as an oxidant, without added acid. Course of reactions was followed by recording the temperature and pH changes of the reaction systems. The influence of the organic co-solvents and the reaction time on the molecular structure, molecular weights, morphology and properties of synthesized polyaniline (PANI) samples was studied by elemental analysis, laser desorption ionization mass spectrometry (LDI-MS), gelpermeation chromatography (GPC), FTIR, Raman and UV vis spectroscopies, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electrical conductivity measurements. The results were compared with those obtained for PANI prepared under the same reaction conditions in water without a co-solvent.
PB  - Elsevier Science Sa, Lausanne
T2  - Synthetic Metals
T1  - Solvent effects on dopant-free pH-falling polymerization of aniline
VL  - 209
SP  - 279
EP  - 296
DO  - 10.1016/j.synthmet.2015.07.031
ER  - 

@article{
author = "Rakić, Aleksandra A. and Vukomanović, Marija and Trifunović, Snežana S. and Travas-Sejdić, Jadranka and Chaudhary, Omer Javed and Horsky, Jiri and Ćirić-Marjanović, Gordana",
year = "2015",
abstract = "Polymerizations of aniline were conducted in the mixtures of water and polar organic solvents (50 vol.%): acetone, acetonitrile, dimethylsulfoxide and ethanol, by using ammonium peroxydisulphate as an oxidant, without added acid. Course of reactions was followed by recording the temperature and pH changes of the reaction systems. The influence of the organic co-solvents and the reaction time on the molecular structure, molecular weights, morphology and properties of synthesized polyaniline (PANI) samples was studied by elemental analysis, laser desorption ionization mass spectrometry (LDI-MS), gelpermeation chromatography (GPC), FTIR, Raman and UV vis spectroscopies, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electrical conductivity measurements. The results were compared with those obtained for PANI prepared under the same reaction conditions in water without a co-solvent.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Synthetic Metals",
title = "Solvent effects on dopant-free pH-falling polymerization of aniline",
volume = "209",
pages = "279-296",
doi = "10.1016/j.synthmet.2015.07.031"
}

Rakić, A. A., Vukomanović, M., Trifunović, S. S., Travas-Sejdić, J., Chaudhary, O. J., Horsky, J.,& Ćirić-Marjanović, G.. (2015). Solvent effects on dopant-free pH-falling polymerization of aniline. in Synthetic Metals
Elsevier Science Sa, Lausanne., 209, 279-296.
https://doi.org/10.1016/j.synthmet.2015.07.031

Rakić AA, Vukomanović M, Trifunović SS, Travas-Sejdić J, Chaudhary OJ, Horsky J, Ćirić-Marjanović G. Solvent effects on dopant-free pH-falling polymerization of aniline. in Synthetic Metals. 2015;209:279-296.
doi:10.1016/j.synthmet.2015.07.031 .

Rakić, Aleksandra A., Vukomanović, Marija, Trifunović, Snežana S., Travas-Sejdić, Jadranka, Chaudhary, Omer Javed, Horsky, Jiri, Ćirić-Marjanović, Gordana, "Solvent effects on dopant-free pH-falling polymerization of aniline" in Synthetic Metals, 209 (2015):279-296,
https://doi.org/10.1016/j.synthmet.2015.07.031 . .

TY  - JOUR
AU  - Rakić, Aleksandra A.
AU  - Trifunović, Snežana S.
AU  - Ćirić-Marjanović, Gordana
PY  - 2014
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1780
AB  - Polyaniline (PANI) was synthesized by the oxidation of aniline with ammonium peroxydisulfate (APS) as an oxidant in an immiscible organic/aqueous biphasic system, without added acid. An organic phase contained aniline dissolved in chloroform, while the oxidant was dissolved in water. The produced PANIs have conductivities in the range 0.008-0.1 S cm(-1). Their nanogranular morphology was confirmed by scanning electron microscopy (SEM). Molecular structure of synthesized PANIs was investigated by FTIR, Raman, and UV-Vis spectroscopies, and elemental analysis. The influence of mechanical stirring and reaction time on the yield of polymerization, structure, and properties of synthesized PANIs was studied. The differences in the molecular structure, morphology, and conductivity between PANI prepared by dopant-free interfacial polymerization and PAN1 prepared by corresponding polymerization in monophasic aqueous system are discussed. The results are also compared with the literature data on the interfacial polymerizations of aniline with APS in the presence of acids. (C) 2014 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Sa, Lausanne
T2  - Synthetic Metals
T1  - Dopant-free interfacial oxidative polymerization of aniline
VL  - 192
SP  - 56
EP  - 65
DO  - 10.1016/j.synthmet.2014.03.010
ER  - 

@article{
author = "Rakić, Aleksandra A. and Trifunović, Snežana S. and Ćirić-Marjanović, Gordana",
year = "2014",
abstract = "Polyaniline (PANI) was synthesized by the oxidation of aniline with ammonium peroxydisulfate (APS) as an oxidant in an immiscible organic/aqueous biphasic system, without added acid. An organic phase contained aniline dissolved in chloroform, while the oxidant was dissolved in water. The produced PANIs have conductivities in the range 0.008-0.1 S cm(-1). Their nanogranular morphology was confirmed by scanning electron microscopy (SEM). Molecular structure of synthesized PANIs was investigated by FTIR, Raman, and UV-Vis spectroscopies, and elemental analysis. The influence of mechanical stirring and reaction time on the yield of polymerization, structure, and properties of synthesized PANIs was studied. The differences in the molecular structure, morphology, and conductivity between PANI prepared by dopant-free interfacial polymerization and PAN1 prepared by corresponding polymerization in monophasic aqueous system are discussed. The results are also compared with the literature data on the interfacial polymerizations of aniline with APS in the presence of acids. (C) 2014 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Synthetic Metals",
title = "Dopant-free interfacial oxidative polymerization of aniline",
volume = "192",
pages = "56-65",
doi = "10.1016/j.synthmet.2014.03.010"
}

Rakić, A. A., Trifunović, S. S.,& Ćirić-Marjanović, G.. (2014). Dopant-free interfacial oxidative polymerization of aniline. in Synthetic Metals
Elsevier Science Sa, Lausanne., 192, 56-65.
https://doi.org/10.1016/j.synthmet.2014.03.010

Rakić AA, Trifunović SS, Ćirić-Marjanović G. Dopant-free interfacial oxidative polymerization of aniline. in Synthetic Metals. 2014;192:56-65.
doi:10.1016/j.synthmet.2014.03.010 .

Rakić, Aleksandra A., Trifunović, Snežana S., Ćirić-Marjanović, Gordana, "Dopant-free interfacial oxidative polymerization of aniline" in Synthetic Metals, 192 (2014):56-65,
https://doi.org/10.1016/j.synthmet.2014.03.010 . .

TY  - JOUR
AU  - Janosevic, Aleksandra
AU  - Ćirić-Marjanović, Gordana
AU  - Šljukić-Paunković, Biljana
AU  - Pasti, Igor
AU  - Trifunović, Snežana S.
AU  - Marjanovic, Budimir
AU  - Stejskal, Jaroslav
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1303
AB  - The oxidation of aniline with ammonium peroxydisulfate (APS) in aqueous solution of the plant-derived polyphenol, tannic acid, is reported. The effect of initial mole ratios [tannic acid]/[aniline] and [APS]/[aniline] on molecular structure, morphology, conductivity, and electroactivity of synthesized materials (PANI-TA) was investigated by UV-Vis, FTIR, Raman and EPR spectroscopies, scanning and transmission electron microscopies (SEM and TEM), conductivity measurements, and cyclic voltammetry, respectively. PANI-TA nanorods with the average diameter of 70-100 nm and conductivity of 1 x 10(-3) S cm(-1) were synthesized at [tannic acid]/[aniline] = 0.01 and [APS]/[aniline] = 1, while nonconductive, solid microspheres were obtained at [tannic acid]/[aniline] = 0.1 and [APS)[aniline] = 2. The mechanism of the early stages of simultaneous oxidation of aniline and tannic acid has been computationally studied by the RM1/COSMO method. (C) 2012 Elsevier B.V. All rights reserved.
PB  - Elsevier Science Sa, Lausanne
T2  - Synthetic Metals
T1  - Simultaneous oxidation of aniline and tannic acid with peroxydisulfate: Self-assembly of oxidation products from nanorods to microspheres
VL  - 162
IS  - 9-10
SP  - 843
EP  - 856
DO  - 10.1016/j.synthmet.2012.03.009
ER  - 

@article{
author = "Janosevic, Aleksandra and Ćirić-Marjanović, Gordana and Šljukić-Paunković, Biljana and Pasti, Igor and Trifunović, Snežana S. and Marjanovic, Budimir and Stejskal, Jaroslav",
year = "2012",
abstract = "The oxidation of aniline with ammonium peroxydisulfate (APS) in aqueous solution of the plant-derived polyphenol, tannic acid, is reported. The effect of initial mole ratios [tannic acid]/[aniline] and [APS]/[aniline] on molecular structure, morphology, conductivity, and electroactivity of synthesized materials (PANI-TA) was investigated by UV-Vis, FTIR, Raman and EPR spectroscopies, scanning and transmission electron microscopies (SEM and TEM), conductivity measurements, and cyclic voltammetry, respectively. PANI-TA nanorods with the average diameter of 70-100 nm and conductivity of 1 x 10(-3) S cm(-1) were synthesized at [tannic acid]/[aniline] = 0.01 and [APS]/[aniline] = 1, while nonconductive, solid microspheres were obtained at [tannic acid]/[aniline] = 0.1 and [APS)[aniline] = 2. The mechanism of the early stages of simultaneous oxidation of aniline and tannic acid has been computationally studied by the RM1/COSMO method. (C) 2012 Elsevier B.V. All rights reserved.",
publisher = "Elsevier Science Sa, Lausanne",
journal = "Synthetic Metals",
title = "Simultaneous oxidation of aniline and tannic acid with peroxydisulfate: Self-assembly of oxidation products from nanorods to microspheres",
volume = "162",
number = "9-10",
pages = "843-856",
doi = "10.1016/j.synthmet.2012.03.009"
}

Janosevic, A., Ćirić-Marjanović, G., Šljukić-Paunković, B., Pasti, I., Trifunović, S. S., Marjanovic, B.,& Stejskal, J.. (2012). Simultaneous oxidation of aniline and tannic acid with peroxydisulfate: Self-assembly of oxidation products from nanorods to microspheres. in Synthetic Metals
Elsevier Science Sa, Lausanne., 162(9-10), 843-856.
https://doi.org/10.1016/j.synthmet.2012.03.009

Janosevic A, Ćirić-Marjanović G, Šljukić-Paunković B, Pasti I, Trifunović SS, Marjanovic B, Stejskal J. Simultaneous oxidation of aniline and tannic acid with peroxydisulfate: Self-assembly of oxidation products from nanorods to microspheres. in Synthetic Metals. 2012;162(9-10):843-856.
doi:10.1016/j.synthmet.2012.03.009 .

Janosevic, Aleksandra, Ćirić-Marjanović, Gordana, Šljukić-Paunković, Biljana, Pasti, Igor, Trifunović, Snežana S., Marjanovic, Budimir, Stejskal, Jaroslav, "Simultaneous oxidation of aniline and tannic acid with peroxydisulfate: Self-assembly of oxidation products from nanorods to microspheres" in Synthetic Metals, 162, no. 9-10 (2012):843-856,
https://doi.org/10.1016/j.synthmet.2012.03.009 . .

TY  - JOUR
AU  - Stevic, Milica C.
AU  - Ćirić-Marjanović, Gordana
AU  - Marjanovic, Budimir
AU  - Ignjatovic, Ljubisa M.
AU  - Manojlović, Dragan D.
PY  - 2012
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1534
AB  - The theoretical study of the 6-aminoquinoline (6-QNH(2)) electrochemical oxidation mechanism, based on the semi-empirical quantum chemical computations of the heat of formation, ionization energy, and spin density of reaction intermediates, taking into account the influence of pH and solvation effects, has been conducted. Two possible 6-QNH(2) electro-oxidation pathways are investigated, namely, the initial single-electron oxidation of 6-QNH(2) at lower electrode potentials, leading to the formation of cation radicals [6-QNH(2)](center dot+) in acidic solutions and neutral radicals [6-QNH](center dot) in alkaline solutions, as well as the two-electron oxidation of 6-QNH(2) leading to the initial formation of nitrenium cations [6-QNH](+) at higher electrode potentials. The regioselectivity of 6-QNH(2) dimerization reactions, which follow both the single- and two-electron transfer reactions, is computationally studied. Cyclic voltammetry experiments, conducted at a glassy carbon paste electrode in Britton-Robinson buffer/methanol media, are correlated with the computationally predicted 6-QNH(2) electro-oxidation mechanism. Differential pulse voltammetric and adsorptive stripping differential pulse voltammetric analyses of 6-QNH(2) oxidation have also been performed. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.004212jes] All rights reserved.
PB  - Electrochemical Soc Inc, Pennington
T2  - Journal of the Electrochemical Society
T1  - The Electrochemical Oxidation of 6-Aminoquinoline: Computational and Voltammetric Study
VL  - 159
IS  - 11
DO  - 10.1149/2.004212jes
ER  - 

@article{
author = "Stevic, Milica C. and Ćirić-Marjanović, Gordana and Marjanovic, Budimir and Ignjatovic, Ljubisa M. and Manojlović, Dragan D.",
year = "2012",
abstract = "The theoretical study of the 6-aminoquinoline (6-QNH(2)) electrochemical oxidation mechanism, based on the semi-empirical quantum chemical computations of the heat of formation, ionization energy, and spin density of reaction intermediates, taking into account the influence of pH and solvation effects, has been conducted. Two possible 6-QNH(2) electro-oxidation pathways are investigated, namely, the initial single-electron oxidation of 6-QNH(2) at lower electrode potentials, leading to the formation of cation radicals [6-QNH(2)](center dot+) in acidic solutions and neutral radicals [6-QNH](center dot) in alkaline solutions, as well as the two-electron oxidation of 6-QNH(2) leading to the initial formation of nitrenium cations [6-QNH](+) at higher electrode potentials. The regioselectivity of 6-QNH(2) dimerization reactions, which follow both the single- and two-electron transfer reactions, is computationally studied. Cyclic voltammetry experiments, conducted at a glassy carbon paste electrode in Britton-Robinson buffer/methanol media, are correlated with the computationally predicted 6-QNH(2) electro-oxidation mechanism. Differential pulse voltammetric and adsorptive stripping differential pulse voltammetric analyses of 6-QNH(2) oxidation have also been performed. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.004212jes] All rights reserved.",
publisher = "Electrochemical Soc Inc, Pennington",
journal = "Journal of the Electrochemical Society",
title = "The Electrochemical Oxidation of 6-Aminoquinoline: Computational and Voltammetric Study",
volume = "159",
number = "11",
doi = "10.1149/2.004212jes"
}

Stevic, M. C., Ćirić-Marjanović, G., Marjanovic, B., Ignjatovic, L. M.,& Manojlović, D. D.. (2012). The Electrochemical Oxidation of 6-Aminoquinoline: Computational and Voltammetric Study. in Journal of the Electrochemical Society
Electrochemical Soc Inc, Pennington., 159(11).
https://doi.org/10.1149/2.004212jes

Stevic MC, Ćirić-Marjanović G, Marjanovic B, Ignjatovic LM, Manojlović DD. The Electrochemical Oxidation of 6-Aminoquinoline: Computational and Voltammetric Study. in Journal of the Electrochemical Society. 2012;159(11).
doi:10.1149/2.004212jes .

Stevic, Milica C., Ćirić-Marjanović, Gordana, Marjanovic, Budimir, Ignjatovic, Ljubisa M., Manojlović, Dragan D., "The Electrochemical Oxidation of 6-Aminoquinoline: Computational and Voltammetric Study" in Journal of the Electrochemical Society, 159, no. 11 (2012),
https://doi.org/10.1149/2.004212jes . .

TY  - JOUR
AU  - Stevic, Milica C.
AU  - Ignjatovic, Ljubisa M.
AU  - Ćirić-Marjanović, Gordana
AU  - Stanišić, Svetlana M.
AU  - Stanković, Dalibor
AU  - Zima, Jiri
PY  - 2011
UR  - https://cherry.chem.bg.ac.rs/handle/123456789/1171
AB  - The 8-Hydroxyquinoline (8HQ) oxidation process has been investigated by Cyclic Voltammetry using a Glassy Carbon Paste Electrode (GCPE) as a working electrode. The theoretical study of the mechanism of electrochemical oxidation of 8HQ has been based on the AM1 semi-empirical quantum chemical computations of the heats of formation of the reaction intermediates, taking into account the influence of pH and solvation effects. We proposed that a two-electron irreversible process, controlled by diffusion of electroactive species, is responsible for an oxidation peak of 8HQ that appears in all cyclic voltammograms recorded on a clean electrode in the solutions of pH in the range 2-12 with a supporting electrolyte of Britton-Robinson Buffer/methanol. A single-electron oxidation of 8HQ leads, depending on pH, to the formation of various free radical species that combine to make dimers which, after being oxidized once more, give quinonoid-type compounds. Recording continuous cyclic voltammograms on the GCPE, pre-peaks appear as a consequence of dimer and quinonoid compounds formation. By applying Differential Pulse Voltammetry for 8HQ determination it was calculated that the limit of detection was 5.2x10(-8) mol/L. For more sensitive quantitative determination of the investigated substance Adsorptive Stripping Differential Pulse Voltammery can be used since it was found that after 300s-deposition time at 0.0 V vs. Saturated Calomel Electrode, a 2.1 times higher peak current than without deposition was obtained.
PB  - Electrochemical Science Group, Belgrade
T2  - International Journal of Electrochemical Science
T1  - Voltammetric Behaviour and Determination of 8-Hydroxyquinoline Using a Glassy Carbon Paste Electrode and the Theoretical Study of its Electrochemical Oxidation Mechanism
VL  - 6
IS  - 7
SP  - 2509
EP  - 2525
UR  - https://hdl.handle.net/21.15107/rcub_cherry_1171
ER  - 

@article{
author = "Stevic, Milica C. and Ignjatovic, Ljubisa M. and Ćirić-Marjanović, Gordana and Stanišić, Svetlana M. and Stanković, Dalibor and Zima, Jiri",
year = "2011",
abstract = "The 8-Hydroxyquinoline (8HQ) oxidation process has been investigated by Cyclic Voltammetry using a Glassy Carbon Paste Electrode (GCPE) as a working electrode. The theoretical study of the mechanism of electrochemical oxidation of 8HQ has been based on the AM1 semi-empirical quantum chemical computations of the heats of formation of the reaction intermediates, taking into account the influence of pH and solvation effects. We proposed that a two-electron irreversible process, controlled by diffusion of electroactive species, is responsible for an oxidation peak of 8HQ that appears in all cyclic voltammograms recorded on a clean electrode in the solutions of pH in the range 2-12 with a supporting electrolyte of Britton-Robinson Buffer/methanol. A single-electron oxidation of 8HQ leads, depending on pH, to the formation of various free radical species that combine to make dimers which, after being oxidized once more, give quinonoid-type compounds. Recording continuous cyclic voltammograms on the GCPE, pre-peaks appear as a consequence of dimer and quinonoid compounds formation. By applying Differential Pulse Voltammetry for 8HQ determination it was calculated that the limit of detection was 5.2x10(-8) mol/L. For more sensitive quantitative determination of the investigated substance Adsorptive Stripping Differential Pulse Voltammery can be used since it was found that after 300s-deposition time at 0.0 V vs. Saturated Calomel Electrode, a 2.1 times higher peak current than without deposition was obtained.",
publisher = "Electrochemical Science Group, Belgrade",
journal = "International Journal of Electrochemical Science",
title = "Voltammetric Behaviour and Determination of 8-Hydroxyquinoline Using a Glassy Carbon Paste Electrode and the Theoretical Study of its Electrochemical Oxidation Mechanism",
volume = "6",
number = "7",
pages = "2509-2525",
url = "https://hdl.handle.net/21.15107/rcub_cherry_1171"
}

Stevic, M. C., Ignjatovic, L. M., Ćirić-Marjanović, G., Stanišić, S. M., Stanković, D.,& Zima, J.. (2011). Voltammetric Behaviour and Determination of 8-Hydroxyquinoline Using a Glassy Carbon Paste Electrode and the Theoretical Study of its Electrochemical Oxidation Mechanism. in International Journal of Electrochemical Science
Electrochemical Science Group, Belgrade., 6(7), 2509-2525.
https://hdl.handle.net/21.15107/rcub_cherry_1171

Stevic MC, Ignjatovic LM, Ćirić-Marjanović G, Stanišić SM, Stanković D, Zima J. Voltammetric Behaviour and Determination of 8-Hydroxyquinoline Using a Glassy Carbon Paste Electrode and the Theoretical Study of its Electrochemical Oxidation Mechanism. in International Journal of Electrochemical Science. 2011;6(7):2509-2525.
https://hdl.handle.net/21.15107/rcub_cherry_1171 .

Stevic, Milica C., Ignjatovic, Ljubisa M., Ćirić-Marjanović, Gordana, Stanišić, Svetlana M., Stanković, Dalibor, Zima, Jiri, "Voltammetric Behaviour and Determination of 8-Hydroxyquinoline Using a Glassy Carbon Paste Electrode and the Theoretical Study of its Electrochemical Oxidation Mechanism" in International Journal of Electrochemical Science, 6, no. 7 (2011):2509-2525,
https://hdl.handle.net/21.15107/rcub_cherry_1171 .