TY  - JOUR
AU  - Bradan, Gabrijela
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Shcherbakov, Igor N.
AU  - Milenković, Milica
AU  - Milenković, Marina
AU  - Radanović, Dušanka
AU  - Cobeljić, Božidar
AU  - Anđelković, Katarina
PY  - 2016
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2712
AB  - Isothiocyanate complexes of Zn(II) and Cd(II) with the condensation product of 2,6-diacetylpyridine and trimethylammoniumacetohydrazide (Girard's T reagent) were synthesized, characterized, and their antimicrobial activities were evaluated. The structures of the complexes were determined by elemental analysis, IR, and NMR spectroscopy. The crystal structure of the Zn(II) complex was also determined. Quantum-chemical calculations of the geometry and total energy of isomers of 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone) were performed in vacuum and methanol solution, with the aim to explain conformational behavior and E/Z isomerism of this compound. DFT calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of SCN- is the most stable. Complexes of Zn(II) and Cd(II) exhibited low to moderate activity against the tested microbial strains. [GRAPHICS]
PB  - Taylor & Francis Ltd, Abingdon
T2  - Journal of Coordination Chemistry
T1  - Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone)
VL  - 69
IS  - 18
SP  - 2754
EP  - 2765
DO  - 10.1080/00958972.2016.1212339
ER  - 

@article{
author = "Bradan, Gabrijela and Pevec, Andrej and Turel, Iztok and Shcherbakov, Igor N. and Milenković, Milica and Milenković, Marina and Radanović, Dušanka and Cobeljić, Božidar and Anđelković, Katarina",
year = "2016",
abstract = "Isothiocyanate complexes of Zn(II) and Cd(II) with the condensation product of 2,6-diacetylpyridine and trimethylammoniumacetohydrazide (Girard's T reagent) were synthesized, characterized, and their antimicrobial activities were evaluated. The structures of the complexes were determined by elemental analysis, IR, and NMR spectroscopy. The crystal structure of the Zn(II) complex was also determined. Quantum-chemical calculations of the geometry and total energy of isomers of 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone) were performed in vacuum and methanol solution, with the aim to explain conformational behavior and E/Z isomerism of this compound. DFT calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N-Cd-N coordination of SCN- is the most stable. Complexes of Zn(II) and Cd(II) exhibited low to moderate activity against the tested microbial strains. [GRAPHICS]",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Journal of Coordination Chemistry",
title = "Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone)",
volume = "69",
number = "18",
pages = "2754-2765",
doi = "10.1080/00958972.2016.1212339"
}

Bradan, G., Pevec, A., Turel, I., Shcherbakov, I. N., Milenković, M., Milenković, M., Radanović, D., Cobeljić, B.,& Anđelković, K.. (2016). Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone). in Journal of Coordination Chemistry
Taylor & Francis Ltd, Abingdon., 69(18), 2754-2765.
https://doi.org/10.1080/00958972.2016.1212339

Bradan G, Pevec A, Turel I, Shcherbakov IN, Milenković M, Milenković M, Radanović D, Cobeljić B, Anđelković K. Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone). in Journal of Coordination Chemistry. 2016;69(18):2754-2765.
doi:10.1080/00958972.2016.1212339 .

Bradan, Gabrijela, Pevec, Andrej, Turel, Iztok, Shcherbakov, Igor N., Milenković, Milica, Milenković, Marina, Radanović, Dušanka, Cobeljić, Božidar, Anđelković, Katarina, "Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone)" in Journal of Coordination Chemistry, 69, no. 18 (2016):2754-2765,
https://doi.org/10.1080/00958972.2016.1212339 . .