Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex
Samo za registrovane korisnike
2017
Autori
Begović, NebojšaVasić, Milica M.
Blagojević, Vladimir A.
Filipović, Nenad R.
Marinković, Aleksandar
Malešević, Aleksandar
Minić, Dragica M.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-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 e...ndothermic 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.
Ključne reči:
Thermal decomposition / Reaction mechanism / DFT calculation / Reaction kinetics / Organometallic complex / ThermodynamicsIzvor:
Journal of Thermal Analysis and Calorimetry, 2017, 130, 2, 701-711Izdavač:
- Springer, Dordrecht
DOI: 10.1007/s10973-017-6458-2
ISSN: 1388-6150
WoS: 000413264100010
Scopus: 2-s2.0-85020119946
Institucija/grupa
Tehnološko-metalurški fakultetTY - JOUR AU - Begović, Nebojša AU - Vasić, Milica M. AU - Blagojević, Vladimir A. AU - Filipović, Nenad R. AU - Marinković, Aleksandar AU - Malešević, Aleksandar AU - Minić, Dragica M. PY - 2017 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/3634 AB - The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-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, Dordrecht 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-kappa(2) N]-palladium(II) complex EP - 711 IS - 2 SP - 701 VL - 130 DO - 10.1007/s10973-017-6458-2 ER -
@article{ author = "Begović, Nebojša and Vasić, Milica M. and Blagojević, Vladimir A. and Filipović, Nenad R. and Marinković, Aleksandar and Malešević, Aleksandar and Minić, Dragica M.", year = "2017", abstract = "The structure of new cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-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, Dordrecht", 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-kappa(2) N]-palladium(II) complex", pages = "711-701", number = "2", volume = "130", doi = "10.1007/s10973-017-6458-2" }
Begović, N., Vasić, M. M., Blagojević, V. A., Filipović, N. R., Marinković, A., Malešević, A.,& Minić, D. M.. (2017). Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry Springer, Dordrecht., 130(2), 701-711. https://doi.org/10.1007/s10973-017-6458-2
Begović N, Vasić MM, Blagojević VA, Filipović NR, Marinković A, Malešević A, Minić DM. Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex. in Journal of Thermal Analysis and Calorimetry. 2017;130(2):701-711. doi:10.1007/s10973-017-6458-2 .
Begović, Nebojša, Vasić, Milica M., Blagojević, Vladimir A., Filipović, Nenad R., Marinković, Aleksandar, Malešević, Aleksandar, Minić, Dragica M., "Synthesis and thermal stability of cis-dichloro[(E)-ethyl-2-(2-((8-hydroxyquinolin-2-il)methylene)hidrazinyl)acetate-kappa(2) N]-palladium(II) complex" in Journal of Thermal Analysis and Calorimetry, 130, no. 2 (2017):701-711, https://doi.org/10.1007/s10973-017-6458-2 . .