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Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation"
dc.creator | Darmanović, Darinka | |
dc.creator | Radanović, Dušanka | |
dc.creator | Jevtović, Mima | |
dc.creator | Turel, Iztok | |
dc.creator | Pevec, Andrej | |
dc.creator | Milčić, Miloš | |
dc.creator | Gruden, Maja | |
dc.creator | Zlatar, Matija | |
dc.creator | Đorđević, Nataša G. | |
dc.creator | Anđelković, Katarina | |
dc.creator | Čobeljić, Božidar | |
dc.date.accessioned | 2022-06-14T14:29:15Z | |
dc.date.available | 2022-06-14T14:29:15Z | |
dc.date.issued | 2022 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/5112 | |
dc.description.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 | |
dc.publisher | Elsevier | en |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200023/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200288/RS// | |
dc.relation | info:eu-repo/grantAgreement/ScienceFundRS/Ideje/7750288/RS// | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/5109 | |
dc.relation.isreferencedby | https://doi.org/10.1016/j.molstruc.2022.133509 | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | Journal of Molecular Structure | en |
dc.subject | Co(III) complexes | |
dc.subject | Co(III) | |
dc.subject | Hydrazone | |
dc.subject | X-ray crystallography | |
dc.subject | DFT | |
dc.subject | Computational chemistry | |
dc.subject | Coordination chemistry | |
dc.subject | tridentate ligands | |
dc.subject | 2-acetylpyridine | |
dc.subject | Girard's P reagent | |
dc.subject | octahedral | |
dc.subject | monokis | |
dc.title | Supplementary material for: "Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes: Synthesis, characterization and DFT calculation" | en |
dc.type | dataset | en |
dc.rights.license | BY | |
dc.description.other | 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] | |
dc.description.other | Accepted version of the manuscript: [https://cer.ihtm.bg.ac.rs/handle/123456789/5109] | |
dc.description.other | Crystallographic data (CCDC 2168741): [https://cer.ihtm.bg.ac.rs/handle/123456789/5110] | |
dc.description.other | Crystallographic data (CCDC 2168742): [https://cer.ihtm.bg.ac.rs/handle/123456789/5111] | |
dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_cer_5112 | |
dc.identifier.fulltext | http://cer.ihtm.bg.ac.rs/bitstream/id/22018/SI-1-s2.0-S0022286022011656-mmc3.pdf | |
dc.type.version | publishedVersion |
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TMMagCat
Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes