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Приказ резултата 11-20 од 22
Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
(COST action CA21101 (COSY), 2023)
The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction of the HL ligand with the metal ...
Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent
(Belgrade, Serbia : Materials Research Society of Serbia, 2023)
The ligand (HLCl) was synthetized by the reaction of 2-acetylpyridine and Girard’s P reagent in molar ratio 1 : 1 in ethanol (1–2 drops of cc. HCl were added). The reaction of hydrazone ligand
with the metal salt ...
Coordination preferences of NNO and NNS Schiff base ligands with Co(III) complexes / Ispitivanje koordinacionih sposobnosti NNO i NNS Šifovih baza kao liganada u kompleksima Co(III)
(Belgrade : Serbian Chemical Society, 2022)
Two Co(III) complexes [Co(L1)2]BF4·H2O (1) and [Co(L2)(N3)3] (2) with condensation product of thiosemicarbazide and 2-acetylthiazole (HL1) and the condensation product of 2-acetylpyridine and Girard’s P reagent (HL2Cl) ...
Synthesis, characterization and DFT calculations of Schiff base Co(III) complexes
(Materials Research Society of Serbia, 2022)
Two Co(III) complexes were synthesized and characterized by SCXRD, elemental analysis, IR, NMR and UV/Vis spectroscopy. DFT calculations were performed to elucidate the structures of Co(III)
complexes in solution.
Chemical bonding in transition metal complexes - synergy between experiment and theory / Хемијска веза у комплексима прелазних метала - синергија експеримента и теорије
(Belgrade, Serbia : Serbian Cristallographic Soceity // Beograd, Srbija : Srpsko kristalografsko društvo, 2023)
Combining crystal structure determination and computational chemistry emerges as a powerful strategy for understanding the electronic structure of transition metal complexes. In this tallc, our efforts in understanding and ...
Theoretical study of substituent effects on structural properties of arylazo pyridone dyes
(Society of Physical Chemists of SerbiaDruštvo fizikohemičara Srbije, 2014)
Quantum chemical calculations performed by the density functional theory (DFT) were used to determine the structural parameters of arylazo pyridone dyes. The influence of electronic effects of substituent in diazo moiety ...
Exploring anatomy of experiment with DFT: Quantitative structure-activity relationship of Substituted arylazo pyridine dyes in Photocatalytic reaction
(University of Pardubice, 2019)
A series of arylazo pyridone dyes was synthesized by changing the type of the substituent
group in the diazo moiety, ranging from strong electron-donating to strong electronwithdrawing
groups. The structural and electronic ...
What is the nature of binding of BF4¯, NO3¯ and ClO4¯ to Cu(II) complexes with Girard's T hydrazine? When can binuclear complexes be formed? / Kakva je priroda vezivanja BF4-, NO3- i ClO4- za komplekse Cu(II) sa Žirarovim T hidrazidom? Kada mogu nastati binuklearni kompleksi?
(Serbian Chemical Society, Belgrade / Srpsko hemijsko društvo, Beograd, 2019)
Four complexes, [CuLCl]BF4, [CuLCl]NO3, [Cu2L2Cl2](BF4)2 and [CuLCl]ClO4 having the same [CuLCl]+ moiety, (L=(E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene) hydrazi-nyl)ethan-1-amin), were characterized by ...
Magnetic anisotropy in pentagonal bipyramidal complexes of first-row transition metal ions / Magnetna anizotropija u pentagonalno bipiramidalnim kompleksima prve serije prelaznih metala
(Belgrade : Serbian Chemical Society, 2022)
We present a validation study that aims to accurately describe magnetic anisotropy using the density functional theory (DFT) approach. We have examined 26 seven-coordinate high-spin first-row transition metal complexes ...
Coordination preferences of Shiff base ligands with transition metals: DFT study
(Society of Biological Inorganic Chemistry, 2022)
To rationalize coordination preferences of the ligands to form mono- or binuclear complexes and coordinate differently, together with the electronic structure of transition metal ions, we performed Density Functional Theory ...