Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues
Само за регистроване кориснике
2017
Аутори
Filipović, Nenad R.Elshaflu, Hana
Grubišić, Sonja
Jovanović, Ljiljana S.
Rodić, Marko
Novaković, Irena T.
Malešević, Aleksandar
Đorđević, Ivana S.
Li, Haidong
Šojić, Nešo
Marinković, Aleksandar
Todorović, Tamara
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
The first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands' periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO-LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f(-) and nucleophilic f(+) Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (...1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl) hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds.
Извор:
Dalton Transactions, 2017, 46, 9, 2910-2924Издавач:
- Royal Soc Chemistry, Cambridge
Финансирање / пројекти:
Напомена:
- Supplementary material: http://cherry.chem.bg.ac.rs/handle/123456789/3095
DOI: 10.1039/c6dt04785h
ISSN: 1477-9226
PubMed: 28197616
WoS: 000395887100019
Scopus: 2-s2.0-85014202888
Колекције
Институција/група
Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Filipović, Nenad R. AU - Elshaflu, Hana AU - Grubišić, Sonja AU - Jovanović, Ljiljana S. AU - Rodić, Marko AU - Novaković, Irena T. AU - Malešević, Aleksandar AU - Đorđević, Ivana S. AU - Li, Haidong AU - Šojić, Nešo AU - Marinković, Aleksandar AU - Todorović, Tamara PY - 2017 UR - https://cherry.chem.bg.ac.rs/handle/123456789/2430 AB - The first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands' periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO-LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f(-) and nucleophilic f(+) Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl) hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds. PB - Royal Soc Chemistry, Cambridge T2 - Dalton Transactions T1 - Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues VL - 46 IS - 9 SP - 2910 EP - 2924 DO - 10.1039/c6dt04785h ER -
@article{ author = "Filipović, Nenad R. and Elshaflu, Hana and Grubišić, Sonja and Jovanović, Ljiljana S. and Rodić, Marko and Novaković, Irena T. and Malešević, Aleksandar and Đorđević, Ivana S. and Li, Haidong and Šojić, Nešo and Marinković, Aleksandar and Todorović, Tamara", year = "2017", abstract = "The first Co(III) complexes with (1,3-selenazol-2-yl)hydrazones as an unexplored class of ligands were prepared and characterized by NMR spectroscopy and X-ray diffraction analysis. The novel ligands act as NNN tridentate chelators forming octahedral Co(III) complexes. The impact of structural changes on ligands' periphery as well as that of isosteric replacement of sulphur with selenium on the electrochemical and electronic absorption features of complexes are explored. To support the experimental data, density functional theory (DFT) calculations were also conducted. Theoretical NMR chemical shifts, the relative energies and natural bond orbital (NBO) analysis are calculated within the DFT approach, while the singlet excited state energies and HOMO-LUMO energy gap were calculated with time-dependent density functional theory (TD-DFT). The electrophilic f(-) and nucleophilic f(+) Fukui functions are well adapted to find the electrophile and nucleophile centres in the molecules. Both (1,3-selenazol-2-yl)- and (1,3-thiazol-2-yl) hydrazone Co(III) complexes showed potent antimicrobial and antioxidant activity. A significant difference among them was a smaller cytotoxicity of selenium compounds.", publisher = "Royal Soc Chemistry, Cambridge", journal = "Dalton Transactions", title = "Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues", volume = "46", number = "9", pages = "2910-2924", doi = "10.1039/c6dt04785h" }
Filipović, N. R., Elshaflu, H., Grubišić, S., Jovanović, L. S., Rodić, M., Novaković, I. T., Malešević, A., Đorđević, I. S., Li, H., Šojić, N., Marinković, A.,& Todorović, T.. (2017). Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues. in Dalton Transactions Royal Soc Chemistry, Cambridge., 46(9), 2910-2924. https://doi.org/10.1039/c6dt04785h
Filipović NR, Elshaflu H, Grubišić S, Jovanović LS, Rodić M, Novaković IT, Malešević A, Đorđević IS, Li H, Šojić N, Marinković A, Todorović T. Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues. in Dalton Transactions. 2017;46(9):2910-2924. doi:10.1039/c6dt04785h .
Filipović, Nenad R., Elshaflu, Hana, Grubišić, Sonja, Jovanović, Ljiljana S., Rodić, Marko, Novaković, Irena T., Malešević, Aleksandar, Đorđević, Ivana S., Li, Haidong, Šojić, Nešo, Marinković, Aleksandar, Todorović, Tamara, "Co(III) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues" in Dalton Transactions, 46, no. 9 (2017):2910-2924, https://doi.org/10.1039/c6dt04785h . .