Synthesis, characterization, DFT calculations and antimicrobial activity of pentagonal-bipyramidal Zn(II) and Cd(II) complexes with 2,6-diacetylpyridine-bis(trimethylammoniumacetohydrazone)
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2016
Authors
Bradan, GabrijelaPevec, Andrej
Turel, Iztok

Shcherbakov, Igor N.

Milenković, Milica
Milenković, Marina

Radanović, Dušanka
Cobeljić, Božidar

Anđelković, Katarina

Article (Published version)

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Show full item recordAbstract
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]
Source:
Journal of Coordination Chemistry, 2016, 69, 18, 2754-2765Publisher:
- Taylor & Francis Ltd, Abingdon
Projects:
- Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
- Slovenian Research Agency - P-0175
- SFedU - 213.01-07-2014/03PChVG
DOI: 10.1080/00958972.2016.1212339
ISSN: 0095-8972