The influence of alkaline cations on the mechanism and kinetics of dehydration of polymeric phthalatocuprate(II) dihydrates
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2017
Authors
Zdravković, Jelena D.
Poleti, Dejan

Rogan, Jelena

Blagojević, Vladimir A.

Mészáros, Katalin

Minić, Dragica M.

Article (Published version)

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Show full item recordAbstract
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 ionSource:
Journal of Analytical and Applied Pyrolysis, 2017, 126, 323-331Publisher:
- 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)
DOI: 10.1016/j.jaap.2017.05.014
ISSN: 0165-2370
WoS: 000407984300035
Scopus: 2-s2.0-85020429725
Institution/Community
Институт техничких наука САНУ / Institute of Technical Sciences of SASATY - 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/123456789/2351 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_2351 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_2351" }
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_2351
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_2351 .
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_2351 .