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Kondenzacionom reakcijom 2-acetil-6-brompiridina sa Žirarovim T reagensom dobijen je ligand HLCl (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N- trimetil-2-oksoetan-1-aminijum hlorid. Oktaedarski kompleks 1, opšte formule [ZnL2](BF4)2 koji sadrži dva koordinovana liganda, dobijen je u reakciji liganda sa Zn(BF4)2 i NaN3 u molarnom odnosu 1:1:4. Kompleks 2 je dobijen pod istim reakcionim uslovima kao i kompleks 1 pri čemu je Zn(II) pentakoordinovan preko NNO seta atoma jednog molekula liganda i dva NCO– liganda. Međutim, reakcijom HLCl sa Zn(BF4)2 i NaN3 u višku (1:1:12) formiran je kompleks 3, opšte formule [ZnL(N3)2]. DFT proračuni su izvedeni da bi se poboljšalo razumevanje struktura kompleksa i potvrdila njihova struktura u rastvoru., The condensation of 2-acetyl-6-bromopyridine with Girard's T reagent produced the ligand HLCl (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride. Complex 1, an octahedral complex containing two molecules of the coordinated ligand, was obtained when the ligand reacted with Zn(BF4)2·6H2O and NaN3 in molar ratio 1:1:4. Complex 2, was obtained under the same reaction conditions as complex 1 where Zn(II) is pentacoordinated via one ligand molecule through NNO set of atoms and two NCO– ligands. However, by reacting HLCl with Zn(BF4)2·6H2O and NaN3 in excess (1:1:12) complex 3 with different composition, [ZnL(N3)2], was formed. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the complexes in the solution.

Tri nova kompleksa Zn(II) sa (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N-trimetil-2-oksoetan-1-aminijum hloridom HLCl su sintetisana i okarakterisana u čvrstom stanju i u rastvoru različitim metodama. Kompleks 1 formira oktaedarsku geometriju, dok kompleksi 2 i 3 formiraju iskrivljenu trigonalno bipiramidalnu geometriju. Biološka aktivnost ovih kompleksa je testirana na panelu gram-negativnih i gram-pozitivnih bakterija, dva soja gljivica i jedan soj kvasca. Doking analiza je predvidela da je geranilgeranil-pirofosfat sintaza, enzim neophodan za biosintezu sterola, najverovatnija meta za inhibiciju testiranih kompleksa., Three new Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized in the solid state and in solution by different methods. Complex 1 forms an octahedral geometry, while complexes 2 and 3 form distorted trigonal bipyramidal geometry. The biological activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes.

Kondenzacionom reakcijom 2-acetil-6-brompiridina sa Žirarovim T reagensom dobijen je ligand HLCl (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N- trimetil-2-oksoetan-1-aminijum hlorid. Oktaedarski kompleks 1, opšte formule [ZnL2](BF4)2 koji sadrži dva koordinovana liganda, dobijen je u reakciji liganda sa Zn(BF4)2 i NaN3 u molarnom odnosu 1:1:4. Kompleks 2 je dobijen pod istim reakcionim uslovima kao i kompleks 1 pri čemu je Zn(II) pentakoordinovan preko NNO seta atoma jednog molekula liganda i dva NCO– liganda. Međutim, reakcijom HLCl sa Zn(BF4)2 i NaN3 u višku (1:1:12) formiran je kompleks 3, opšte formule [ZnL(N3)2]. DFT proračuni su izvedeni da bi se poboljšalo razumevanje struktura kompleksa i potvrdila njihova struktura u rastvoru., The condensation of 2-acetyl-6-bromopyridine with Girard's T reagent produced the ligand HLCl (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride. Complex 1, an octahedral complex containing two molecules of the coordinated ligand, was obtained when the ligand reacted with Zn(BF4)2·6H2O and NaN3 in molar ratio 1:1:4. Complex 2, was obtained under the same reaction conditions as complex 1 where Zn(II) is pentacoordinated via one ligand molecule through NNO set of atoms and two NCO– ligands. However, by reacting HLCl with Zn(BF4)2·6H2O and NaN3 in excess (1:1:12) complex 3 with different composition, [ZnL(N3)2], was formed. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the complexes in the solution.

Three new Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized in the solid state and in solution by different methods. Complex 1 forms an octahedral geometry, while complexes 2 and 3 form distorted trigonal bipyramidal geometry. The biological activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes., Tri nova kompleksa Zn(II) sa (E)-2-(2-(1-(6-brompiridin-2-il)etiliden)hidrazinil)-N,N,N-trimetil-2-oksoetan-1-aminijum hloridom HLCl su sintetisana i okarakterisana u čvrstom stanju i u rastvoru različitim metodama. Kompleks 1 formira oktaedarsku geometriju, dok kompleksi 2 i 3 formiraju iskrivljenu trigonalno bipiramidalnu geometriju. Biološka aktivnost ovih kompleksa je testirana na panelu gram-negativnih i gram-pozitivnih bakterija, dva soja gljivica i jedan soj kvasca. Doking analiza je predvidela da je geranilgeranil-pirofosfat sintaza, enzim neophodan za biosintezu sterola, najverovatnija meta za inhibiciju testiranih kompleksa.

Sintetizovali smo seriju Ni kompleksa koristeći različite donorske ligande na bazi NNO hidrazona i azidne anjone. Tri kompleksa su kristalizovala kao dvonuklearna, Ni(II) jona su koordinovani sa NNO ligandom i tri azidna liganda (dva mostna). U četvrtom kompleksu, Ni (II) je koordinovan sa dva NNO liganda. Da bismo razumeli ove različite ishode, izračunali smo ∆G energije za dimerizaciju i formiranje kompleksa sa dva NNO liganda, iz mononuklearnih kompleksa. Energije su izračunate koristeći M06-2X metodu sa Grimeovom D3 disperzionom korekcijom i def2-TZVP bazisom. Iako je dimerizacija povoljnija u svim slučajevima, ∆G energetska razlika je samo 1,7 kcal/mol za četvrti kompleks. Ova mala razlika se može prevazići energijama interakcije sa rastvorom ili u kristalnim strukturama. ∆G energetske razlike u drugim kompleksima su od 5 kcal/mol do 15 kcal/mol., We have synthesized a series of a Ni complex using different NNO hydrazone-based donor ligands and azide anions. Three complexes crystallized as dinuclear, Ni(II) ions are coordinated with NNO ligand and three azide ligands (two bridging). In the fourth complex, Ni(II) is coordinated with two NNO ligands. To understand these different outcomes, we calculated the ∆G energies for dimerization and formation of complexes with two NNO ligands, from mononuclear complexes. The energies are calculated using the M06-2X method with Grimmes D3 dispersion correction and def2-TZVP basis. Aldo the dimerization is more favorable in all cases, the ∆G energy difference is only 1.7 kcal/mole for the fourth complex. This small difference could be overcome by the interaction energies with the solution or in the crystal structures. The ∆G energy differences in other complexes are from 5 kcal/mol to 15 kcal/mol.

In this paper, three different Zn(II) complexes with (E)-2-(2-(1-(6-bromopyridin-2-yl)ethylidene)hydrazinyl)-N,N,N-trimethyl-2-oxoethan-1-aminium chloride (HLCl) have been synthesized and characterized by single crystal X-ray diffraction, elemental analysis, IR and NMR spectroscopy. All complexes are mononuclear, with the ligand (L) coordinated in a deprotonated formally neutral zwitterionic form via NNO donor set atoms. Complex 1 forms an octahedral geometry with the composition [ZnL2](BF4)2, while complexes 2 [ZnL(NCO)2] and 3 [ZnL(N3)2] form penta-coordinated geometry. Density functional theory (DFT) calculations were performed to enhance our understanding of the structures of the synthesized complexes and the cytotoxic activity of the complexes was tested against five human cancer cell lines (HeLa, A549, MDA-MB-231, K562, LS 174T) and normal human fibroblasts MRC-5. Additionally, antimicrobial and antifungal activity of these complexes was tested against a panel of Gram-negative and Gram-positive bacteria, two fungal strains, and a yeast strain. It is noteworthy that all three complexes show selective antifungal activity comparable to that of amphotericin B. Molecular docking analysis predicted that geranylgeranyl pyrophosphate synthase, an enzyme essential for sterol biosynthesis is the most likely target for inhibition by the tested complexes.

Prema energiji koja se prenosi na kanalni instrument, mašinske tehnike preparacije se svrstavaju u mehaničke, ultrazvučne i zvučne. Rotacija pri tome može biti puna, recipročna i kombinovana recipročna sa vertikalnim kretanjima. Osnovne karakteristike Ni-Ti rotirajućih instrumenata su specifičan radni deo instrumenta, karakterističan poprečni presek, različit stepen koničnosti, pasivan zaobljen vrh, različita dužina radnog dela i izuzetna fleksibilnost. Prednosti mašinskih rotirajućih isntrumenata su sigurnost i lakoća manipulacije, smanjena mogućnost pojave grešaka prilikom preparacije, olakšana preparacija, veća brzina, predvidljiv i siguran ishod lečenja. Frakture Ni-Ti rotirajućih instrumenata u kanalu su relativno česte i nastaju kao posledica torzije tokom rotacije, odnosno usled cikličnog zamora materijala. Zbog toga se preporučuje da se instrumenti koriste jednokratno ili najviše 3-5 puta u jednostavnim kanalnim sistemima.

Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.

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 salt MnCl2·4H2O in a molar ratio 1:1 in methanol/water mixture results in the formation of bis Mn(II) complex with composition [MnL2]. Complex 1 crystallizes in the triclinic crystal system with space group P−1. The Mn(II) ion is hexacoordinated with two tridentate ligands L through NNS sets of donor atoms. The geometry around the Mn is described as a distorted trigonal prism (Fig. 1). The reaction of the ligand HL with Fe(BF4)2·6H2O in a molar ratio 1:1 in methanol results in the formation of bis Fe(III) complex with composition [Fe(L)2]BF4·H2O. The Fe(III) ion with L form six-coordinate complex in which two deprotonated ligand molecules coordinate in a mer arrangement, forming a distorted octahedral complex by chelation through NNS sets of donor atoms (Fig. 1). Complex 2 crystallizes in the orthorhombic crystal system with space group Pbca.

Poster presented at The Training School of COST action CA21101 COSY ,,Multiscale modeling of the properties of compounds: From isolated molecules to 3D materials relevant for industrial and astrophysical application", Belgrade, Serbia, 19th – 22nd September 2023.

The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-µ-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center.

The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1- (1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-µ-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center.

The condensation product of 7-acetyl-6-azaindole and Girard’s T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet been reported, in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The com­plex was characterized by elemental analysis, IR spectroscopy and X-ray crys­tal­lography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3-) ligand and BF4- counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the act­ivity of amphotericin B.

Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5 electronic configuration. However, measured magnetism and analysis of the crystal geometries show that these two complexes have a different number of unpaired electrons. We rationalized the results by electronic structure calculations based on density functional theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.

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 Ni(BF4)2·6H2O and NaN3 in a molar ratio 1:1:4 in methanol/acetonitrile/water mixture results in the formation of Ni(III) complex with composition [NiL(N3)3]. The tridentate ligand (HLCl) is coordinated in deprotonated, formally neutral, form to the nickel ion through NNO set of donor atoms forming two five-membered chelate rings and the other three coordination sites are occupied by meridionally coordinated azide anions. The ligand (HLCl) was characterized by elemental analysis, IR and NMR spectroscopy and structure of the complex was defined by X-ray analysis, IR and EPR spectroscopy, molar conductivity and elemental analysis. DFT calculations were performed to determine stability and rationalise formation of Ni(III) complex.

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 Ni(BF4)2·6H2O and NaN3 in a molar ratio 1:1:4 in methanol/acetonitrile/water mixture results in the formation of Ni(III) complex with composition [NiL(N3)3]. The tridentate ligand (HLCl) is coordinated in deprotonated, formally neutral, form to the nickel ion through NNO set of donor atoms forming two five-membered chelate rings and the other three coordination sites are occupied by meridionally coordinated azide anions. The ligand (HLCl) was characterized by elemental analysis, IR and NMR spectroscopy and structure of the complex was defined by X-ray analysis, IR and EPR spectroscopy, molar conductivity and elemental analysis. DFT calculations were performed to determine stability and rationalise formation of Ni(III) complex.

Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis tridentate coordination of the thiosemicarbazone ligand through the NNS donor set of atoms. Furthermore, the central metal ions in both cases have the same d5 electronic configuration. However, measured magnetism and analysis of the crystal geometries show that these two complexes have a different number of unpaired electrons. We rationalized the results by electronic structure calculations based on density functional theory. High-spin Mn(II) complex has trigonal-prismatic geometry with ionic metal-ligand bonding. Hund's rule of maximum multiplicity is responsible for its sextet spin-ground state. On the other hand, low-spin Fe(III) complex has octahedral coordination and strong metal-ligand covalency with delocalization of spin density toward ligands. Low-spin, doublet state is favored because of the nephelauxetic effect, i.e., smaller pairing energy in Fe(III) complex. Our results show that the difference in the electronic structure of the two complexes, i.e., different spin-ground states, directly affects these molecules' structure, magnetism, reactivity, and biological activities.

Construction, one of the largest global economic sectors, has been severely challenged by the economic uncertainties brought on by COVID-19. Since 2020, pandemic-related disruptions and remedial measures have made its historically low performance even more difficult. As a result, recent research mainly addressed these negative consequences on the construction sector. In contrast, this paper aims to identify mitigation strategies recognised as good practices on construction projects in Serbia, in addition to detecting disruptions and quantifying their effects on cost and time overruns. A particular emphasis is given to how the pandemic hastened digital transition and encouraged the adoption of modern project management practices. The research was carried out through a survey of two rounds, conducted one year apart, to obtain an in-depth overview. The findings indicated that, although it had an impact on construction projects, the pandemic was not particularly harmful, because of widely used remedial measures and modern project management techniques. However, the pandemic did not modernise project implementation substantially nor significantly increase the use of cutting-edge digital technologies. Nevertheless, it encouraged project managers to think about introducing new approaches in project management, where digitisation is the new normal. The research findings may indicate to academia and practitioners what strategies may assure a project’s implementation even in enormously changed conditions, such as during a pandemic.

Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity., The structural parameters, the selected bond lengths and angles and the raw data of the IR and NMR spectra for complexes 3 and 4 and their corresponding ligands. Additional computational results. Cartesian coordinates of all DFT optimized structures.

The condensation product of 7-acetyl-6-azaindole and Girard's T reagent ((E)-2-(2-(1-(1H-pyrrolo[2,3-c]pyridin-7-yl)ethylidene)hydrazineyl)-N,N,N-trimethyl-2-oxoethan-1-aminium, HL ligand) was used as a ligand in the reaction with Cu(BF4)2·6H2O and NaN3. The reaction led to the formation of a binuclear Cu(II) complex containing two end-to-end (di-m-1,3-N3) azide bridges, as well as two NNO-donor hydrazone ligands, forming an axially elongated square pyramidal geometry around each Cu(II) center. This end-to-end (di-m-1,3-N3) azide bridge binding mode has not yet occurred in Cu(II) complexes containing the NNO-donor hydrazone ligands, which makes the structure of the complex even more interesting for further studies. The complex was characterized by elemental analysis, IR spectroscopy and X-ray crystallography, and it was found that it crystallizes in the triclinic space group P–1 with the asymmetric unit comprising one Cu(II) centre, zwitterionic ligand L, one azide (N3−) ligand, and BF4− counter anion. Examination of antimicrobial activity of the complex shows higher antifungal and antibacterial activity towards tested Gram-positive bacteria in comparison to the hydrazone ligand, with the antifungal activity of the complex even being comparable to the activity of amphotericin B.

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) and Co(BF4)2·6H2O have been synthesized. Complexes were characterized by elemental analysis, IR and NMR spectroscopy and X-ray crystallographic analysis. DFT calculations revealed the thermodynamical stability of obtained complexes., Kompleks [Co(L1)2]BF4·H2O (1) dobijen je u reakciji Co(BF4)2·6H2O sa kondenzacionim proizvodom tiosemikarbazida i 2-acetiltiazola (HL1), dok je kompleks [Co(L2)(N3)3] (2) dobijen u reakciji iste soli sa kondenzacionim proizvodom 2-acetilpiridina i Žirarovog P reagensa (HL2Cl). Oba kompleksa su okarakterisana elementalnom analizom, IC i NMR spektroskopijom i rendgenskom strukturnom analizom. DFT proračunima određena je termodinamička stabilnost kompleksa.

The HL ligand was synthesized in the reaction of thiosemicarbazide and 2-acetylthiazole in molar ratio 1:1 in water, with 3 drops of 2M HCl. Complex [Fe(L)2]BF4·H2O (1) was synthesized in the reaction of ligand and Fe(BF4)6·6H2O in MeOH, after complete dissolution of Fe(BF4)2·6H2O in the reaction mixture, NaN3 was added. In the reaction of ligand (HL), MnCl2·4H2O and NaN3, in molar rotio 1 : 1 : 4, Mn(II) complex (2) was obtained. Complexes 1 and 2 were characterized by elemental analysis, IR and UV/Vis spectroscopy and X-ray crystallographic analysis. Both complexes 1 and 2 with HL ligand are bis octahedral complexes in which two deprotonated ligand molecules coordinate in a mer arrangement through two NNS sets of donor atoms, through thiazole and imine nitrogens and thioenolate sulfur., Ligand (HL) sintetisan je u reakciji tiosemikarbazida i 2-acetiltiazola u molarnom odnosu 1 : 1 u vodi, u kiseloj sredini. Kompleks [Fe(L)2]BF4·H2O (1) dobijen je u reakciji liganda i Fe(BF4)2·6H2O u metanolu i nakon potpunog rastvaranja Fe(II) soli dodat je NaN3 u višku (1 : 1 : 4). U reakciji liganda (HL), MnCl2·4H2O i NaN3 u molarnom odnosu 1 : 1 : 4, dobijen je kompleks Mn(II), [Mn(L)2] (2). Kompleksi 1 i 2 okarakterisani su elementalnom analizom, IC spektroskopijom, UV/Vis spektroskopijom i rendgenskom strukturnom analizom. Kod oba kompleksa 1 i 2 dolazi do forimiranja bis oktaedarske geometrije tako što se za centralni metalni jon koordinuju dva deprotonovana liganda preko dva NNS donorska seta atoma u mer okruženju. Do koordinacije liganda za centralni metalni jon, kako Fe(III), tako i Mn(II), dolazi preko dva azota, od kojih jedan potiče iz tiazola, a drugi iz iminske grupe, kao i preko sumpora iz tioenolatne grupe.

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.

The ligand (HL) was synthetized by the reaction of 2-acetylthiazole and thiosemicarbazide in molar ratio 1:1 in water. In the reaction of ligand (HL) and nickel(II) tetrafluoroborate hexahydrate [Ni(HL)2](BF4)2 complex was obtained. The Ni(II) ion has octahedral coordination geometry. The tridentate ligand (HL) is coordinated to the nickel ion with a NNS set of donor atoms forming two five- -membered chelate rings. The ligand (HL) and the [Ni(HL)2](BF4)2 complex were characterized by elemental analysis, IR and UV/Vis spectroscopy and the structure of the complex was defined by X-ray analysis.