Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8- hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2N]-palladium(II) complex
Аутори
Begović, Nebojša N.Vasić, Milica
Blagojevic, Vladimir
Filipović, Nenad
Marinković, Aleksandar
Malešević, Aleksandar
Minic, Dragica
Чланак у часопису (Рецензирана верзија)
,
Akadémiai Kiadó, Budapest, Hungary
Метаподаци
Приказ свих података о документуАпстракт
The structure of new cis-dichloro[(E)-ethyl-2-(2-
((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-j2N]-
palladium(II) complex was determined using a combination
of XRD and IR measurements and DFT calculations.
Inherent flexibility of its structure is evident from the complexity
of its IR spectrum, which could only be theoretically
reproduced as a combination of several closely related
structures, involving rotation around C–O bond and changes
in hydrogen interactions of its –OH group. Its thermal stability
and decomposition were studied non-isothermally, and
the thermal decomposition mechanism was proposed using
correlation with DFT calculations at the molecular level. It
was determined that the initial degradation step consists of
the release of Cl free radical, which then reacts with both the
initial compound and the degradation products. Besides the
endothermic steps, there are exothermic ones, contributing to
the complex shape of the DSC curve, consisted of ov...erlapping
endothermic and exothermic peaks. Deconvolution of
DTG curve allowed identification of primary fragments of
the initial degradation process and, in conjunction with DFT
calculations, construction of the most likely reaction
mechanism.
Кључне речи:
Thermal decomposition, Reaction mechanism, DFT calculation, Reaction kinetics, Organometallic complex, ThermodynamicsИзвор:
Journal of Thermal Analysis and Calorimetry, 2017, 130, 701-711Издавач:
- Springer Science & Business Media
- Akadémiai Kiadó
Институција/група
Institut za multidisciplinarna istraživanjaTY - JOUR AU - Begović, Nebojša N. AU - Vasić, Milica AU - Blagojevic, Vladimir AU - Filipović, Nenad AU - Marinković, Aleksandar AU - Malešević, Aleksandar AU - Minic, Dragica PY - 2017 UR - http://rimsi.imsi.bg.ac.rs/handle/123456789/2405 AB - The structure of new cis-dichloro[(E)-ethyl-2-(2- ((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-j2N]- palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C–O bond and changes in hydrogen interactions of its –OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism. PB - Springer Science & Business Media PB - Akadémiai Kiadó T2 - Journal of Thermal Analysis and Calorimetry T1 - Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8- hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2N]-palladium(II) complex EP - 711 SP - 701 VL - 130 DO - 10.1007/s10973-017-6458-2 ER -
@article{ author = "Begović, Nebojša N. and Vasić, Milica and Blagojevic, Vladimir and Filipović, Nenad and Marinković, Aleksandar and Malešević, Aleksandar and Minic, Dragica", year = "2017", abstract = "The structure of new cis-dichloro[(E)-ethyl-2-(2- ((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-j2N]- palladium(II) complex was determined using a combination of XRD and IR measurements and DFT calculations. Inherent flexibility of its structure is evident from the complexity of its IR spectrum, which could only be theoretically reproduced as a combination of several closely related structures, involving rotation around C–O bond and changes in hydrogen interactions of its –OH group. Its thermal stability and decomposition were studied non-isothermally, and the thermal decomposition mechanism was proposed using correlation with DFT calculations at the molecular level. It was determined that the initial degradation step consists of the release of Cl free radical, which then reacts with both the initial compound and the degradation products. Besides the endothermic steps, there are exothermic ones, contributing to the complex shape of the DSC curve, consisted of overlapping endothermic and exothermic peaks. Deconvolution of DTG curve allowed identification of primary fragments of the initial degradation process and, in conjunction with DFT calculations, construction of the most likely reaction mechanism.", publisher = "Springer Science & Business Media, Akadémiai Kiadó", journal = "Journal of Thermal Analysis and Calorimetry", title = "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8- hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2N]-palladium(II) complex", pages = "711-701", volume = "130", doi = "10.1007/s10973-017-6458-2" }
Begović, N. N., Vasić, M., Blagojevic, V., Filipović, N., Marinković, A., Malešević, A.,& Minic, D.. (2017). Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8- hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry Springer Science & Business Media., 130, 701-711. https://doi.org/10.1007/s10973-017-6458-2
Begović NN, Vasić M, Blagojevic V, Filipović N, Marinković A, Malešević A, Minic D. Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8- hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry. 2017;130:701-711. doi:10.1007/s10973-017-6458-2 .
Begović, Nebojša N., Vasić, Milica, Blagojevic, Vladimir, Filipović, Nenad, Marinković, Aleksandar, Malešević, Aleksandar, Minic, Dragica, "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8- hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-κ2N]-palladium(II) complex" in Journal of Thermal Analysis and Calorimetry, 130 (2017):701-711, https://doi.org/10.1007/s10973-017-6458-2 . .