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The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates

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zdravkovi2017.pdf (1.167Mb)
Authors
Zdravković, Jelena D.
Poleti, Dejan
Rogan, Jelena
Blagojević, Vladimir A.
Mészáros, Katalin
Minić, Dragica M.
Article (Accepted Version)
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Abstract
Thermal dehydration of two heterometallic complexes containing dianion of phthalic acid, pht, Na2[Cu(pht)2] · 2H2O, 1, and K2[Cu(pht)2] · 2H2O, 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 Màlek algorithm, resulting in the determination of kinetic triplets (Ea, A and f(α)) for each individual step. In addition, the dehydrated comple...xes were investigated as possible candidates for H2 adsorption, using molecular simulations.

Keywords:
heterometallic complexes / mechanism and kinetics of dehydration / deconvolution / phthalate ion
Source:
Journal of Analytical and Applied Pyrolysis, 2017, 126, 323-331
Publisher:
  • Elsevier
Funding / projects:
  • Zero- to Three-Dimensional Nanostructures for Application in Electronics and Renewable Energy Sources: Synthesis, Characterization and Processing (RS-45007)
  • Non-invasive and invasive detection of endothelial dysfunction and coronary vasospasm in patients with chest pain syndrome (RS-175020)
Note:
  • This is the peer reviewed version of the article: Zdravković, J.D., Poleti, D.D., Rogan, J.R., Blagojević, V.A., Szécsényi, K.M., Minić, D.M., 2017. The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates. Journal of Analytical and Applied Pyrolysis 126, 323–331. https://doi.org/10.1016/j.jaap.2017.05.014

DOI: 10.1016/j.jaap.2017.05.014

ISSN: 0165-2370

WoS: 000407984300035

Scopus: 2-s2.0-85020429725
[ Google Scholar ]
1
1
Handle
https://hdl.handle.net/21.15107/rcub_dais_4616
URI
https://dais.sanu.ac.rs/123456789/4616
Collections
  • ИТН САНУ - Општа колекција / ITS SASA - General collection
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASA
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  - https://dais.sanu.ac.rs/123456789/4616
AB  - Thermal dehydration of two heterometallic complexes containing dianion of phthalic acid, pht, Na2[Cu(pht)2] · 2H2O, 1, and K2[Cu(pht)2] · 2H2O, 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 Màlek algorithm, resulting in the determination of kinetic triplets (Ea, A and f(α)) for each individual step. In addition, the dehydrated complexes were investigated as possible candidates for H2 adsorption, using molecular simulations.
PB  - Elsevier
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
SP  - 323
EP  - 331
VL  - 126
DO  - 10.1016/j.jaap.2017.05.014
UR  - https://hdl.handle.net/21.15107/rcub_dais_4616
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, Na2[Cu(pht)2] · 2H2O, 1, and K2[Cu(pht)2] · 2H2O, 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 Màlek algorithm, resulting in the determination of kinetic triplets (Ea, A and f(α)) for each individual step. In addition, the dehydrated complexes were investigated as possible candidates for H2 adsorption, using molecular simulations.",
publisher = "Elsevier",
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 = "323-331",
volume = "126",
doi = "10.1016/j.jaap.2017.05.014",
url = "https://hdl.handle.net/21.15107/rcub_dais_4616"
}
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., 126, 323-331.
https://doi.org/10.1016/j.jaap.2017.05.014
https://hdl.handle.net/21.15107/rcub_dais_4616
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
https://hdl.handle.net/21.15107/rcub_dais_4616 .
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 .,
https://hdl.handle.net/21.15107/rcub_dais_4616 .

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