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Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
dc.creator | Adejumo, Temiloluwa T. | |
dc.creator | Danopoulou, Marianna | |
dc.creator | Zorba, Leandros P. | |
dc.creator | Pevec, Andrej | |
dc.creator | Zlatar, Matija | |
dc.creator | Radanović, Dušanka | |
dc.creator | Savić, Milica | |
dc.creator | Gruden, Maja | |
dc.creator | Anđelković, Katarina | |
dc.creator | Turel, Iztok | |
dc.creator | Čobeljić, Božidar | |
dc.creator | Vougioukalakis, Georgios C. | |
dc.date.accessioned | 2024-01-05T16:28:26Z | |
dc.date.available | 2024-01-05T16:28:26Z | |
dc.date.issued | 2023 | |
dc.identifier.issn | 1434-1948 | |
dc.identifier.issn | 1099-0682 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/7293 | |
dc.description.abstract | Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity. | |
dc.publisher | Wiley | 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/ScienceFundRS/Ideje/7750288/RS// | |
dc.relation | Slovenian Research Agency (ARRS), grant number P1-0175. | |
dc.relation | Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “1st Call for H.F.R.I. Research Projects to support Faculty Members & Researchers and the procurement of high-cost research equipment grant” (Project Number: 16) | |
dc.relation | HEAL-Link | |
dc.relation.isversionof | https://cer.ihtm.bg.ac.rs/handle/123456789/6545 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/7527 | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
dc.source | European Journal of Inorganic Chemistry | en |
dc.subject | Zn(II) complexes | |
dc.subject | hydrazone ligands | |
dc.subject | NNO donor set | |
dc.subject | NNS donor set | |
dc.subject | Synthesis | |
dc.subject | Crystal structures | |
dc.subject | Catalytic activity | |
dc.subject | KA2 coupling reaction | |
dc.subject | Frontier orbitals | |
dc.subject | Conceptual DFT | |
dc.subject | DFT | |
dc.subject | electronic chemical potential | |
dc.subject | molecular hardness | |
dc.subject | molecular softness | |
dc.subject | electrophilicity index | |
dc.subject | finite difference linearisation | |
dc.subject | reactivity descriptors | |
dc.subject | electronic structure | |
dc.subject | structure-activity correlation | |
dc.title | Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes | en |
dc.type | article | en |
dc.rights.license | BY-NC-ND | |
dc.citation.volume | 26 | |
dc.citation.issue | 33 | |
dc.citation.spage | e202300193 | |
dc.citation.rank | M22~ | |
dc.description.other | Accepted version: [https://cer.ihtm.bg.ac.rs/handle/123456789/6545] | |
dc.description.other | Supplementary information: [https://cer.ihtm.bg.ac.rs/handle/123456789/7527] | |
dc.identifier.doi | 10.1002/ejic.202300193 | |
dc.identifier.fulltext | http://cer.ihtm.bg.ac.rs/bitstream/id/26719/bitstream_26719.pdf | |
dc.identifier.fulltext | http://cer.ihtm.bg.ac.rs/bitstream/id/29246/bitstream_29246.pdf | |
dc.identifier.scopus | 2-s2.0-85172698622 | |
dc.type.version | publishedVersion |
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