Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"
Autori
Darmanović, DarinkaRadanović, Dušanka
Jevtović, Mima
Turel, Iztok
Pevec, Andrej
Milčić, Miloš
Gruden, Maja
Zlatar, Matija
Đorđević, Nataša G.
Anđelković, Katarina
Čobeljić, Božidar
Skup podataka (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
Selected bond lengths (Å) and angles (°) of complexes 1 and 2. Comparison of Co-Nthiazole, Co-Nimine and Co-Sthiolate bond lengths (Å) in octahedral Co(III)-N4S2 complexes with thiosemicarbazone based ligands. Comparison of Co-Npy, Co-Nimine, Co-Nazide and Co-Oenolate bond lengths (Å) in octahedral Co(III)N4O2–Co(III)N2O(N3)3 complexes with hydrazone and azide ligands.Hydrogen-bond parameters for complex 1.Intermolecular p×××p interaction parameters for complex 2. Hydrogen-bond parameters for complex 2.Crystal packing of 1 showing self-assembled complex cations within a layer parallel with the (001) lattice plane by means of intermolecular N–H×××N and N–H×××S hydrogen bonds and (b) Intermolecular p×××p interactions between thiazole rings.Crystal packing of 2 showing 2D assembly parallel with the (10-1) lattice plane generated by intermolecular p×××p interactions and C–H×××N hydrogen bonds.Cartesian coordinates of all DFT optimized structures
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, 2022Izdavač:
- Elsevier
Finansiranje / projekti:
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-MESTD-inst-2020-200026)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200168 (Univerzitet u Beogradu, Hemijski fakultet) (RS-MESTD-inst-2020-200168)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200023 (Institut za tehnologiju nuklearnih i drugih mineralnih sirovina - ITNMS, Beograd) (RS-MESTD-inst-2020-200023)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200288 (Inovacioni centar Hemijskog fakulteta u Beogradu doo) (RS-MESTD-inst-2020-200288)
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
Napomena:
- This is a supplementary material 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 StructureElsevier., 133509. doi:https://doi.org/10.1016/j.molstruc.2022.133509
- Accepted version of the manuscript: https://cer.ihtm.bg.ac.rs/handle/123456789/5109
- 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
Povezane informacije:
- Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/5109 - Povezani sadržaj
https://doi.org/10.1016/j.molstruc.2022.133509
Kolekcije
Institucija/grupa
IHTMTY - DATA 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/123456789/5112 AB - Selected bond lengths (Å) and angles (°) of complexes 1 and 2. Comparison of Co-Nthiazole, Co-Nimine and Co-Sthiolate bond lengths (Å) in octahedral Co(III)-N4S2 complexes with thiosemicarbazone based ligands. Comparison of Co-Npy, Co-Nimine, Co-Nazide and Co-Oenolate bond lengths (Å) in octahedral Co(III)N4O2–Co(III)N2O(N3)3 complexes with hydrazone and azide ligands.Hydrogen-bond parameters for complex 1.Intermolecular p×××p interaction parameters for complex 2. Hydrogen-bond parameters for complex 2.Crystal packing of 1 showing self-assembled complex cations within a layer parallel with the (001) lattice plane by means of intermolecular N–H×××N and N–H×××S hydrogen bonds and (b) Intermolecular p×××p interactions between thiazole rings.Crystal packing of 2 showing 2D assembly parallel with the (10-1) lattice plane generated by intermolecular p×××p interactions and C–H×××N hydrogen bonds.Cartesian coordinates of all DFT optimized structures PB - Elsevier T2 - Journal of Molecular Structure T1 - Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" UR - https://hdl.handle.net/21.15107/rcub_cer_5112 ER -
@misc{ 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 = "Selected bond lengths (Å) and angles (°) of complexes 1 and 2. Comparison of Co-Nthiazole, Co-Nimine and Co-Sthiolate bond lengths (Å) in octahedral Co(III)-N4S2 complexes with thiosemicarbazone based ligands. Comparison of Co-Npy, Co-Nimine, Co-Nazide and Co-Oenolate bond lengths (Å) in octahedral Co(III)N4O2–Co(III)N2O(N3)3 complexes with hydrazone and azide ligands.Hydrogen-bond parameters for complex 1.Intermolecular p×××p interaction parameters for complex 2. Hydrogen-bond parameters for complex 2.Crystal packing of 1 showing self-assembled complex cations within a layer parallel with the (001) lattice plane by means of intermolecular N–H×××N and N–H×××S hydrogen bonds and (b) Intermolecular p×××p interactions between thiazole rings.Crystal packing of 2 showing 2D assembly parallel with the (10-1) lattice plane generated by intermolecular p×××p interactions and C–H×××N hydrogen bonds.Cartesian coordinates of all DFT optimized structures", publisher = "Elsevier", journal = "Journal of Molecular Structure", title = "Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"", url = "https://hdl.handle.net/21.15107/rcub_cer_5112" }
Darmanović, D., Radanović, D., Jevtović, M., Turel, I., Pevec, A., Milčić, M., Gruden, M., Zlatar, M., Đorđević, N. G., Anđelković, K.,& Čobeljić, B.. (2022). Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". in Journal of Molecular Structure Elsevier.. https://hdl.handle.net/21.15107/rcub_cer_5112
Darmanović D, Radanović D, Jevtović M, Turel I, Pevec A, Milčić M, Gruden M, Zlatar M, Đorđević NG, Anđelković K, Čobeljić B. Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation". in Journal of Molecular Structure. 2022;. https://hdl.handle.net/21.15107/rcub_cer_5112 .
Darmanović, Darinka, Radanović, Dušanka, Jevtović, Mima, Turel, Iztok, Pevec, Andrej, Milčić, Miloš, Gruden, Maja, Zlatar, Matija, Đorđević, Nataša G., Anđelković, Katarina, Čobeljić, Božidar, "Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"" in Journal of Molecular Structure (2022), https://hdl.handle.net/21.15107/rcub_cer_5112 .