TY  - JOUR
AU  - Filipović, Nenad
AU  - Elshaflu, Hana
AU  - Grubisić, Sonja
AU  - Jovanović, Ljiljana S.
AU  - Rodić, Marko
AU  - Novaković, Irena
AU  - Malesević, Aleksandar
AU  - Djordjević, Ivana S.
AU  - Li, Haidong
AU  - Sojić, Neso
AU  - Marinković, Aleksandar
AU  - Todorović, Tamara R.
PY  - 2017
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/4392
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
EP  - 2924
IS  - 9
SP  - 2910
VL  - 46
DO  - 10.1039/c6dt04785h
ER  - 

@article{
author = "Filipović, Nenad and Elshaflu, Hana and Grubisić, Sonja and Jovanović, Ljiljana S. and Rodić, Marko and Novaković, Irena and Malesević, Aleksandar and Djordjević, Ivana S. and Li, Haidong and Sojić, Neso and Marinković, Aleksandar and Todorović, Tamara R.",
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",
pages = "2924-2910",
number = "9",
volume = "46",
doi = "10.1039/c6dt04785h"
}

Filipović, N., Elshaflu, H., Grubisić, S., Jovanović, L. S., Rodić, M., Novaković, I., Malesević, A., Djordjević, I. S., Li, H., Sojić, N., Marinković, A.,& Todorović, T. R.. (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 N, Elshaflu H, Grubisić S, Jovanović LS, Rodić M, Novaković I, Malesević A, Djordjević IS, Li H, Sojić N, Marinković A, Todorović TR. 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, Elshaflu, Hana, Grubisić, Sonja, Jovanović, Ljiljana S., Rodić, Marko, Novaković, Irena, Malesević, Aleksandar, Djordjević, Ivana S., Li, Haidong, Sojić, Neso, Marinković, Aleksandar, Todorović, Tamara R., "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 . .