Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
Нема приказа
Аутори
Darmanović, DarinkaRadanović, Dušanka
Jevtović, Mima
Turel, Iztok
Pevec, Andrej
Milcić, Miloš
Gruden, Maja
Zlatar, Matija
Đorđević, Nataša
Anđelković, Katarina
Čobeljić, Božidar
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole ( HL 1 ligand, ( E )-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent ( HL 2 Cl ligand, ( E )-1-(2-oxo-2-(2-(1-(pyridin-2yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL 1 ligand, [Co( L 1 ) 2 ]BF 4 center dot H 2 O ( 1 ), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL 2 Cl, [Co( L 2 )(N 3 ) 3 ] ( 2 ), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridiona...lly coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.
Кључне речи:
X-ray crystallography / Hydrazone / Computational calculations / Co(III)Извор:
Journal of Molecular Structure, 2022, 1266Издавач:
- Elsevier, Amsterdam
Финансирање / пројекти:
- Slovenian Research Agency [P1-0175]
- Science Fund of the Republic of Serbia [7750288]
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200168 (Универзитет у Београду, Хемијски факултет) (RS-MESTD-inst-2020-200168)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200023 (Институт за технологију нуклеарних и других минералних сировина - ИТНМС, Београд) (RS-MESTD-inst-2020-200023)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200288 (Иновациони центар Хемијског факултета у Београду доо) (RS-MESTD-inst-2020-200288)
DOI: 10.1016/j.molstruc.2022.133509
ISSN: 0022-2860
WoS: 000814671500005
Scopus: 2-s2.0-85132327965
Институција/група
Institut za tehnologiju nuklearnih i drugih mineralnih sirovinaTY - JOUR AU - Darmanović, Darinka AU - Radanović, Dušanka AU - Jevtović, Mima AU - Turel, Iztok AU - Pevec, Andrej AU - Milcić, Miloš AU - Gruden, Maja AU - Zlatar, Matija AU - Đorđević, Nataša AU - Anđelković, Katarina AU - Čobeljić, Božidar PY - 2022 UR - https://ritnms.itnms.ac.rs/handle/123456789/638 AB - Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole ( HL 1 ligand, ( E )-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent ( HL 2 Cl ligand, ( E )-1-(2-oxo-2-(2-(1-(pyridin-2yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL 1 ligand, [Co( L 1 ) 2 ]BF 4 center dot H 2 O ( 1 ), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL 2 Cl, [Co( L 2 )(N 3 ) 3 ] ( 2 ), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion. PB - Elsevier, Amsterdam T2 - Journal of Molecular Structure T1 - Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation VL - 1266 DO - 10.1016/j.molstruc.2022.133509 UR - conv_943 ER -
@article{ author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milcić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša and Anđelković, Katarina and Čobeljić, Božidar", year = "2022", abstract = "Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole ( HL 1 ligand, ( E )-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent ( HL 2 Cl ligand, ( E )-1-(2-oxo-2-(2-(1-(pyridin-2yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium chloride) have been synthesized and characterized based on the results of single-crystal X-ray diffraction, NMR and IR spectroscopy and elemental analysis. Cobalt(III) complex with HL 1 ligand, [Co( L 1 ) 2 ]BF 4 center dot H 2 O ( 1 ), is bis octahedral complex in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms. In cobalt(III) complex with HL 2 Cl, [Co( L 2 )(N 3 ) 3 ] ( 2 ), the ligand is coordinated in deprotonated, formally neutral, form to Co(III) ion in tridentate fashion through NNO set of donor atoms, and the other three coordination sites of a monokis octahedron are occupied by meridionally coordinated azide anions. DFT calculations were performed to elucidate coordination preferences of these ligands toward Co(III) ion.", publisher = "Elsevier, Amsterdam", journal = "Journal of Molecular Structure", title = "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation", volume = "1266", doi = "10.1016/j.molstruc.2022.133509", url = "conv_943" }
Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milcić, M., Gruden, M., Zlatar, M., Đorđević, N., Anđelković, K.,& Čobeljić, B.. (2022). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure Elsevier, Amsterdam., 1266. https://doi.org/10.1016/j.molstruc.2022.133509 conv_943
Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milcić M, Gruden M, Zlatar M, Đorđević N, Anđelković K, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in Journal of Molecular Structure. 2022;1266. doi:10.1016/j.molstruc.2022.133509 conv_943 .
Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milcić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša, Anđelković, Katarina, Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in Journal of Molecular Structure, 1266 (2022), https://doi.org/10.1016/j.molstruc.2022.133509 ., conv_943 .