Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
Само за регистроване кориснике
2020
Аутори
Darmanović, DarinkaRadanović, Dušanka D.
Jevtović (born Romanović), Mima
Turel, Iztok
Pevec, Andrej
Milčić, Miloš K.
Gruden, Maja
Zlatar, Matej
Đorđević, Nataša
Anđelković, Katarina K.
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 (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)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 HL1 ligand, [Co(L1)2]BF4⋅H2O (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 HL2Cl, [Co(L2)(N3)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 calcula...tions were performed to elucidate coordination preferences of these ligands toward Co(III) ion.
Кључне речи:
Hydrazone / Co(III) / X-ray crystallography / Computational calculationsИзвор:
J. Mol. Struct., 2020, 1266, 133509-Издавач:
- Elsevier
Финансирање / пројекти:
- 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)
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
DOI: 10.1016/j.molstruc.2022.133509
ISSN: 0022-2860
WoS: 00081467150000
Scopus: 2-s2.0-85132327965
Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Darmanović, Darinka AU - Radanović, Dušanka D. AU - Jevtović (born Romanović), Mima AU - Turel, Iztok AU - Pevec, Andrej AU - Milčić, Miloš K. AU - Gruden, Maja AU - Zlatar, Matej AU - Đorđević, Nataša AU - Anđelković, Katarina K. AU - Čobeljić, Božidar PY - 2020 UR - http://cherry.chem.bg.ac.rs/handle/123456789/5688 AB - Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)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 HL1 ligand, [Co(L1)2]BF4⋅H2O (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 HL2Cl, [Co(L2)(N3)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 T2 - J. Mol. Struct. T1 - Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation VL - 1266 SP - 133509 DO - 10.1016/j.molstruc.2022.133509 ER -
@article{ author = "Darmanović, Darinka and Radanović, Dušanka D. and Jevtović (born Romanović), Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš K. and Gruden, Maja and Zlatar, Matej and Đorđević, Nataša and Anđelković, Katarina K. and Čobeljić, Božidar", year = "2020", abstract = "Two Co(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1 ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide) and the condensation product of 2-acetylpyridine and Girard's P reagent (HL2Cl ligand, (E)-1-(2-oxo-2-(2-(1-(pyridin-2-yl)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 HL1 ligand, [Co(L1)2]BF4⋅H2O (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 HL2Cl, [Co(L2)(N3)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", journal = "J. Mol. Struct.", title = "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation", volume = "1266", pages = "133509", doi = "10.1016/j.molstruc.2022.133509" }
Darmanović, D., Radanović, D. D., Jevtović (born Romanović), M., Turel, I., Pevec, A., Milčić, M. K., Gruden, M., Zlatar, M., Đorđević, N., Anđelković, K. K.,& Čobeljić, B.. (2020). Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in J. Mol. Struct. Elsevier., 1266, 133509. https://doi.org/10.1016/j.molstruc.2022.133509
Darmanović D, Radanović DD, Jevtović (born Romanović) M, Turel I, Pevec A, Milčić MK, Gruden M, Zlatar M, Đorđević N, Anđelković KK, Čobeljić B. Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation. in J. Mol. Struct.. 2020;1266:133509. doi:10.1016/j.molstruc.2022.133509 .
Darmanović, Darinka, Radanović, Dušanka D., Jevtović (born Romanović), Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš K., Gruden, Maja, Zlatar, Matej, Đorđević, Nataša, Anđelković, Katarina K., Čobeljić, Božidar, "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" in J. Mol. Struct., 1266 (2020):133509, https://doi.org/10.1016/j.molstruc.2022.133509 . .