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
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/123456789/2351
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 .
