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Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone)

Authorized Users Only
2016
Authors
Bradan, Gabrijela
Pevec, Andrej
Turel, Iztok
Shcherbakov, Igor N.
Milenković, Milica R.
Milenković, Marina
Radanović, Dušanka
Čobeljić, Božidar
Anđelković, Katarina
Article (Published version)
Metadata
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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]
Keywords:
Zn(II) and Cd(II) complexes / 2 / 6-diacetylpyridine dihydrazone / crystal structure / DFT calculations / antimicrobial activity
Source:
Journal of Coordination Chemistry, 2016, 69, 18, 2754-2765
Publisher:
  • Taylor & Francis Ltd, Abingdon
Funding / projects:
  • Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
  • SFedU [213.01-07-2014/03PChVG]
  • Slovenian Research Agency [P-0175]
Note:
  • The peer-reviewed version: http://cer.ihtm.bg.ac.rs/handle/123456789/3623

DOI: 10.1080/00958972.2016.1212339

ISSN: 0095-8972

WoS: 000383964300010

Scopus: 2-s2.0-84979502281
[ Google Scholar ]
9
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/1922
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Bradan, Gabrijela
AU  - Pevec, Andrej
AU  - Turel, Iztok
AU  - Shcherbakov, Igor N.
AU  - Milenković, Milica R.
AU  - Milenković, Marina
AU  - Radanović, Dušanka
AU  - Čobeljić, Božidar
AU  - Anđelković, Katarina
PY  - 2016
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/1922
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 R. and Milenković, Marina and Radanović, Dušanka and Čobeljić, 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. R., Milenković, M., Radanović, D., Čobeljić, 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 MR, Milenković M, Radanović D, Čobeljić 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 R., Milenković, Marina, Radanović, Dušanka, Čobeljić, 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 . .

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