Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation
Samo za registrovane korisnike
2022
Autori
Darmanović, DarinkaRadanović, Dušanka

Jevtović, Mima

Turel, Iztok

Pevec, Andrej

Milčić, Miloš

Gruden, Maja

Zlatar, Matija

Đorđević, Nataša G.

Anđelković, Katarina

Čobeljić, Božidar

Članak u časopisu (Recenzirana verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Ključne reči:
Co(III) complexes / Co(III) / Hydrazone / X-ray crystallography / DFT / Computational chemistry / Coordination chemistry / tridentate ligands / 2-acetylpyridine / Girard's P reagent / octahedral / monokisIzvor:
Journal of Molecular Structure, 2022, 1266, 133509-Izdavač:
- Elsevier
Finansiranje / projekti:
- Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-200026)
- Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200168 (Univerzitet u Beogradu, Hemijski fakultet) (RS-200168)
- Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200023 (Institut za tehnologiju nuklearnih i drugih mineralnih sirovina - ITNMS, Beograd) (RS-200023)
- Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200288 (Inovacioni centar Hemijskog fakulteta u Beogradu doo) (RS-200288)
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-7750288)
Napomena:
- This is an accepted version of the manuscript: Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, 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," Journal of Molecular Structure Elsevier., 133509. doi: https://doi.org/10.1016/j.molstruc.2022.133509
- Supplementary material: https://cer.ihtm.bg.ac.rs/handle/123456789/5112
- Crystallographic data (CCDC 2168741): https://cer.ihtm.bg.ac.rs/handle/123456789/5110
- Crystallographic data (CCDC 2168742): https://cer.ihtm.bg.ac.rs/handle/123456789/5111
- Published version: https://cer.ihtm.bg.ac.rs/handle/123456789/5113
Povezane informacije:
- Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/5110 - Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/5111 - Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/5112
Institucija/grupa
IHTMTY - JOUR AU - Darmanović, Darinka AU - Radanović, Dušanka AU - Jevtović, Mima AU - Turel, Iztok AU - Pevec, Andrej AU - Milčić, Miloš AU - Gruden, Maja AU - Zlatar, Matija AU - Đorđević, Nataša G. AU - Anđelković, Katarina AU - Čobeljić, Božidar PY - 2022 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5109 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 - 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 SP - 133509 DO - 10.1016/j.molstruc.2022.133509 ER -
@article{ author = "Darmanović, Darinka and Radanović, Dušanka and Jevtović, Mima and Turel, Iztok and Pevec, Andrej and Milčić, Miloš and Gruden, Maja and Zlatar, Matija and Đorđević, Nataša G. and Anđelković, Katarina and Čobeljić, Božidar", year = "2022", 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 = "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", pages = "133509", doi = "10.1016/j.molstruc.2022.133509" }
Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., 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., 1266, 133509. https://doi.org/10.1016/j.molstruc.2022.133509
Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, 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;1266:133509. doi:10.1016/j.molstruc.2022.133509 .
Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., 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):133509, https://doi.org/10.1016/j.molstruc.2022.133509 . .