TY  - JOUR
AU  - Zdravković, Jelena D.
AU  - Poleti, Dejan
AU  - Rogan, Jelena
AU  - Blagojević, Vladimir A.
AU  - Mészáros, Katalin
AU  - Minić, Dragica M.
PY  - 2017
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3588
AB  - Thermal dehydration of two heterometallic complexes containing dianion of phthalic acid, pht, Na-2[Cu(pht)(2)] center dot 2H(2)O, 1, and K-2[Cu(pht)(2)] center dot 2H(2)O, 2, was investigated under non-isothermal conditions. Mechanism and kinetics of dehydration were analyzed in detail using TG/DSC/MS measurements, XRPD analysis and FT-IR spectroscopy. The reversibility of dehydration processes was identified. According to XRPD, dehydrated product of 1 maintains original structure, but dehydration of 2 undergoes structural transformation giving a dehydrated product of different crystal structure. In both cases dehydration process involves more than one elementary step, which was confirmed using isoconversional methods Deconvolution of this process using Fraiser-Suzuki function yielded two single step processes for 1 and 2. Subsequent kinetic analysis was performed using Malek algorithm, resulting in the determination of kinetic triplets (E-a, A and f(alpha)) for each individual step. In addition, the dehydrated complexes were investigated as possible candidates for H-2 adsorption, using molecular simulations.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Analytical and Applied Pyrolysis
T1  - The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates
EP  - 331
SP  - 323
VL  - 126
DO  - 10.1016/j.jaap.2017.05.014
ER  - 

@article{
author = "Zdravković, Jelena D. and Poleti, Dejan and Rogan, Jelena and Blagojević, Vladimir A. and Mészáros, Katalin and Minić, Dragica M.",
year = "2017",
abstract = "Thermal dehydration of two heterometallic complexes containing dianion of phthalic acid, pht, Na-2[Cu(pht)(2)] center dot 2H(2)O, 1, and K-2[Cu(pht)(2)] center dot 2H(2)O, 2, was investigated under non-isothermal conditions. Mechanism and kinetics of dehydration were analyzed in detail using TG/DSC/MS measurements, XRPD analysis and FT-IR spectroscopy. The reversibility of dehydration processes was identified. According to XRPD, dehydrated product of 1 maintains original structure, but dehydration of 2 undergoes structural transformation giving a dehydrated product of different crystal structure. In both cases dehydration process involves more than one elementary step, which was confirmed using isoconversional methods Deconvolution of this process using Fraiser-Suzuki function yielded two single step processes for 1 and 2. Subsequent kinetic analysis was performed using Malek algorithm, resulting in the determination of kinetic triplets (E-a, A and f(alpha)) for each individual step. In addition, the dehydrated complexes were investigated as possible candidates for H-2 adsorption, using molecular simulations.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Analytical and Applied Pyrolysis",
title = "The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates",
pages = "331-323",
volume = "126",
doi = "10.1016/j.jaap.2017.05.014"
}

Zdravković, J. D., Poleti, D., Rogan, J., Blagojević, V. A., Mészáros, K.,& Minić, D. M.. (2017). The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates. in Journal of Analytical and Applied Pyrolysis
Elsevier Science Bv, Amsterdam., 126, 323-331.
https://doi.org/10.1016/j.jaap.2017.05.014

Zdravković JD, Poleti D, Rogan J, Blagojević VA, Mészáros K, Minić DM. The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates. in Journal of Analytical and Applied Pyrolysis. 2017;126:323-331.
doi:10.1016/j.jaap.2017.05.014 .

Zdravković, Jelena D., Poleti, Dejan, Rogan, Jelena, Blagojević, Vladimir A., Mészáros, Katalin, Minić, Dragica M., "The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates" in Journal of Analytical and Applied Pyrolysis, 126 (2017):323-331,
https://doi.org/10.1016/j.jaap.2017.05.014 . .

TY  - JOUR
AU  - Zdravković, Jelena D.
AU  - Poleti, Dejan
AU  - Rogan, Jelena
AU  - Begović, Nebojša
AU  - Blagojević, Vladimir A.
AU  - Vasić, Milica M.
AU  - Minić, Dragica M.
PY  - 2016
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3377
AB  - Thermal degradation of ternary transition metal complex containing tetraanion of pyromellitic acid, pyr, and ethylenediamine, en, [Ni-2(en)(2)(H2O)(6)(pyr)]center dot 4H(2)O, 1, was investigated under non-isothermal conditions. The mechanism of thermal degradation, which occurs in three steps, was clarified by TG/DSC measurements in conjunction with FT-IR spectroscopy and XRPD analysis. The complexity of all degradation steps has been revealed using isoconversional methods. Dehydration comprises the loss of ten water molecules in a relatively narrow temperature interval, resulting in a very complicated reaction mechanism. In addition, density functional theory calculations have been applied for better understanding of dehydration. The second degradation step, related to loss of en, was separated into two single-step processes with Fraser-Suzuki function. The obtained individual steps were described by Johnson-Mehl-Avrami A2 model and estak-Berggren model, respectively. Validation of the proposed kinetic triplets for individual steps was performed using master plot and P,rez-Maqueda criteria. The third degradation step is related to the fragmentation of pyr ion most likely followed with the release of a number of gaseous products.
PB  - Springer, Dordrecht
T2  - Journal of Thermal Analysis and Calorimetry
T1  - Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate
EP  - 1726
IS  - 2
SP  - 1715
VL  - 123
DO  - 10.1007/s10973-015-5007-0
ER  - 

@article{
author = "Zdravković, Jelena D. and Poleti, Dejan and Rogan, Jelena and Begović, Nebojša and Blagojević, Vladimir A. and Vasić, Milica M. and Minić, Dragica M.",
year = "2016",
abstract = "Thermal degradation of ternary transition metal complex containing tetraanion of pyromellitic acid, pyr, and ethylenediamine, en, [Ni-2(en)(2)(H2O)(6)(pyr)]center dot 4H(2)O, 1, was investigated under non-isothermal conditions. The mechanism of thermal degradation, which occurs in three steps, was clarified by TG/DSC measurements in conjunction with FT-IR spectroscopy and XRPD analysis. The complexity of all degradation steps has been revealed using isoconversional methods. Dehydration comprises the loss of ten water molecules in a relatively narrow temperature interval, resulting in a very complicated reaction mechanism. In addition, density functional theory calculations have been applied for better understanding of dehydration. The second degradation step, related to loss of en, was separated into two single-step processes with Fraser-Suzuki function. The obtained individual steps were described by Johnson-Mehl-Avrami A2 model and estak-Berggren model, respectively. Validation of the proposed kinetic triplets for individual steps was performed using master plot and P,rez-Maqueda criteria. The third degradation step is related to the fragmentation of pyr ion most likely followed with the release of a number of gaseous products.",
publisher = "Springer, Dordrecht",
journal = "Journal of Thermal Analysis and Calorimetry",
title = "Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate",
pages = "1726-1715",
number = "2",
volume = "123",
doi = "10.1007/s10973-015-5007-0"
}

Zdravković, J. D., Poleti, D., Rogan, J., Begović, N., Blagojević, V. A., Vasić, M. M.,& Minić, D. M.. (2016). Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate. in Journal of Thermal Analysis and Calorimetry
Springer, Dordrecht., 123(2), 1715-1726.
https://doi.org/10.1007/s10973-015-5007-0

Zdravković JD, Poleti D, Rogan J, Begović N, Blagojević VA, Vasić MM, Minić DM. Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate. in Journal of Thermal Analysis and Calorimetry. 2016;123(2):1715-1726.
doi:10.1007/s10973-015-5007-0 .

Zdravković, Jelena D., Poleti, Dejan, Rogan, Jelena, Begović, Nebojša, Blagojević, Vladimir A., Vasić, Milica M., Minić, Dragica M., "Thermal stability and degradation of binuclear hexaaqua-bis(ethylenediamine)-(mu (2)-pyromellitato)dinickel(II) tetrahydrate" in Journal of Thermal Analysis and Calorimetry, 123, no. 2 (2016):1715-1726,
https://doi.org/10.1007/s10973-015-5007-0 . .