Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes
Аутори
Adejumo, Temiloluwa T.Danopoulou, Marianna
Zorba, Leandros P.
Pevec, Andrej
Zlatar, Matija
Radanović, Dušanka
Savić, Milica
Gruden, Maja
Anđelković, Katarina
Turel, Iztok
Čobeljić, Božidar
Vougioukalakis, Georgios C.
Чланак у часопису (Рецензирана верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Zn(II) complexes / hydrazone ligands / NNO donor set / NNS donor set / Synthesis / Crystal structures / Catalytic activity / KA2 coupling reaction / Frontier orbitals / Conceptual DFT / DFT / electronic chemical potential / molecular hardness / molecular softness / electrophilicity index / finite difference linearisation / reactivity descriptors / electronic structure / structure-activity correlationИзвор:
European Journal of Inorganic Chemistry, 2023, 26, 33, e202300193-Издавач:
- Wiley
Финансирање / пројекти:
- 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 - 200168 (Универзитет у Београду, Хемијски факултет) (RS-MESTD-inst-2020-200168)
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
- Slovenian Research Agency (ARRS), grant number P1-0175.
- 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)
- HEAL-Link
Напомена:
- Published version: https://cer.ihtm.bg.ac.rs/handle/123456789/7293
- Supplementary information: https://cer.ihtm.bg.ac.rs/handle/123456789/7527
Повезане информације:
- Друга верзија
https://cer.ihtm.bg.ac.rs/handle/123456789/7293 - Повезани садржај
https://cer.ihtm.bg.ac.rs/handle/123456789/7527
DOI: 10.1002/ejic.202300193
ISSN: 1434-1948; 1099-0682
Scopus: 2-s2.0-85172698622
Институција/група
IHTMTY - JOUR AU - Adejumo, Temiloluwa T. AU - Danopoulou, Marianna AU - Zorba, Leandros P. AU - Pevec, Andrej AU - Zlatar, Matija AU - Radanović, Dušanka AU - Savić, Milica AU - Gruden, Maja AU - Anđelković, Katarina AU - Turel, Iztok AU - Čobeljić, Božidar AU - Vougioukalakis, Georgios C. PY - 2023 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/6545 AB - 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. PB - Wiley T2 - European Journal of Inorganic Chemistry T1 - Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes VL - 26 IS - 33 SP - e202300193 DO - 10.1002/ejic.202300193 ER -
@article{ author = "Adejumo, Temiloluwa T. and Danopoulou, Marianna and Zorba, Leandros P. and Pevec, Andrej and Zlatar, Matija and Radanović, Dušanka and Savić, Milica and Gruden, Maja and Anđelković, Katarina and Turel, Iztok and Čobeljić, Božidar and Vougioukalakis, Georgios C.", year = "2023", 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.", publisher = "Wiley", journal = "European Journal of Inorganic Chemistry", title = "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes", volume = "26", number = "33", pages = "e202300193", doi = "10.1002/ejic.202300193" }
Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., Savić, M., Gruden, M., Anđelković, K., Turel, I., Čobeljić, B.,& Vougioukalakis, G. C.. (2023). Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry Wiley., 26(33), e202300193. https://doi.org/10.1002/ejic.202300193
Adejumo TT, Danopoulou M, Zorba LP, Pevec A, Zlatar M, Radanović D, Savić M, Gruden M, Anđelković K, Turel I, Čobeljić B, Vougioukalakis GC. Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes. in European Journal of Inorganic Chemistry. 2023;26(33):e202300193. doi:10.1002/ejic.202300193 .
Adejumo, Temiloluwa T., Danopoulou, Marianna, Zorba, Leandros P., Pevec, Andrej, Zlatar, Matija, Radanović, Dušanka, Savić, Milica, Gruden, Maja, Anđelković, Katarina, Turel, Iztok, Čobeljić, Božidar, Vougioukalakis, Georgios C., "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes" in European Journal of Inorganic Chemistry, 26, no. 33 (2023):e202300193, https://doi.org/10.1002/ejic.202300193 . .