Nitrato Complexes Research Articles

Microbubble-encapsulated Cobalt Nitrato Complexes for Ultrasound-triggerable Nitric Oxide Delivery.

Cobalt complexes exhibit versatile reactivity with nitric oxide (NO), enabling their utilization in applications ranging from homogeneous catalysis to NO-based modulation of biological processes. However, the coordination geometry around the cobalt center is complex, the therapeutic window of NO is narrow, and controlled NO delivery is difficult. To better understand the complexation of cobalt with NO, we prepared four cobalt nitrato complexes and present a structure-property relationship for ultrasound-triggerable NO release. We hypothesized that modulation of the coordination geometry by ligand-modification would improve responsiveness to mechanical stimuli, like ultrasound. To enable eventual therapeutic testing, we here first demonstrate the in vitro tolerability of [Co(ethylenediamine)2(NO)(NO3)](NO3) in A431 epidermoid carcinoma cells and J774A.1 murine macrophages, and we subsequently show successful encapsulation of the complex in poly(butyl cyanoacrylate) microbubbles. These hybrid Co-NO-containing microbubbles may in the future aid in ultrasound imaging-guided treatment of NO-responsive vascular pathologies.

Manganese(III) Nitrate Complexes as Bench-Stable Powerful Oxidants.

We report herein a convenient one-pot synthesis for the shelf-stable molecular complex [Mn(NO3)3(OPPh3)2] (2) and describe the properties that make it a powerful and selective one-electron oxidation (deelectronation) reagent. 2 has a high reduction potential of 1.02 V versus ferrocene (MeCN) (1.65 vs normal hydrogen electrode), which is one the highest known among readily available redox agents used in chemical synthesis. 2 exhibits stability toward air in the solid state, can be handled with relative ease, and is soluble in most common laboratory solvents such as MeCN, dichloromethane, and fluorobenzene. 2 is substitutionally labile with respect to the coordinated (pseudo)halide ions enabling the synthesis of other new Mn(III) nitrato complexes also with high reduction potentials ranging from 0.6 to 1.0 V versus ferrocene.

Nitrato Complexes of Platinum(IV) with Cesium Cations

Nitrato Complexes of Platinum(IV) with Cesium Cations

The “Periodic Table” of 1-methylbenzotriazole: Zinc(II) Complexes

In an attempt to fill in the empty Zn position in the “Periodic Table” of 1-methylbenzotriazole (Mebta), reactions between Zn(II) sources and this ligand were carried out. The detailed synthetic studies provided access to complexes [ZnX2(Mebta)2] (X = Cl, 1; X = Br, 3; X = I, 4), (MebtaH)2[ZnCl4] (2), tet-[Zn(NO3)2(Mebta)2] (5), oct-[Zn(NO3)2(Mebta)2] (6), and [Zn(Mebta)4](Y)2 [Y = ClO4, 7; Y = PF6, 8]. Solid-state thermal decomposition of 2 leads to 1 in quantitative yield. The structures of 3, 4, 5, 6, and 7 were determined by single-crystal crystallography. The structures of the remaining complexes were proposed based on spectroscopic evidence. In all compounds, Mebta behaves as monodentate ligand using the nitrogen of the position 3 as donor. Complexes 1–4, 7, and 8 are tetrahedral. Complexes 5 and 6 are isostoichiometric and their preparation in pure forms depends on the reaction conditions; in the former the ZnII atom has a tetrahedral geometry, whereas in the latter the metal ion is octahedral. This case of rare isomerism arises from the monodentate (in 5) vs. bidentate (in 6) coordination of the nitrato groups. Extensive π–π stacking interactions and non-classical H bonds build interesting 3D architectures in the structurally characterized complexes. The compounds were characterized by IR, far-IR, and Raman spectroscopies in the solid state, and the data were interpreted in terms of the structures (known or proposed) of the complexes and the coordination modes of the organic and inorganic ligands involved. The solid-state structures of the complexes are not retained in solution, as proven by NMR (1H, 13C[1H]) spectroscopy and molar conductivity data. The thermal decomposition study of 1 and 3 leads to stable intermediates with 1:1 stoichiometry, i.e., ZnX2(Mebta). Based on far-IR spectra, polymeric tetrahedral structures are possible with simultaneous presence of terminal and bridging X− groups. Liquid-phase ab initio (MP2) and gas-phase DFT calculations, performed on Mebta and the nitrato complexes, respectively, shed light on the tendency of Mebta for N3-coordination, and the existence and relative stabilities of 5 and 6.

Photocatalysts Based on Graphite-like Carbon Nitride with a Low Content of Rhodium and Palladium for Hydrogen Production under Visible Light.

In this study, we proposed photocatalysts based on graphite-like carbon nitride with a low content (0.01-0.5 wt.%) of noble metals (Pd, Rh) for hydrogen evolution under visible light irradiation. As precursors of rhodium and palladium, labile aqua and nitrato complexes [Rh2(H2O)8(μ-OH)2](NO3)4∙4H2O and (Et4N)2[Pd(NO3)4], respectively, were proposed. To obtain metallic particles, reduction was carried out in H2 at 400 °C. The synthesized photocatalysts were studied using X-ray diffraction, X-ray photoelectron spectroscopy, UV-Vis diffuse reflectance spectroscopy and high-resolution transmission electron microscopy. The activity of the photocatalysts was tested in the hydrogen evolution from aqueous and aqueous alkaline solutions of TEOA under visible light with a wavelength of 428 nm. It was shown that the activity for the 0.01-0.5% Rh/g-C3N4 series is higher than in the case of the 0.01-0.5% Pd/g-C3N4 photocatalysts. The 0.5% Rh/g-C3N4 sample showed the highest activity per gram of catalyst, equal to 3.9 mmol gcat-1 h-1, whereas the most efficient use of the metal particles was found over the 0.1% Rh/g-C3N4 photocatalyst, with the activity of 2.4 mol per gram of Rh per hour. The data obtained are of interest and can serve for further research in the field of photocatalytic hydrogen evolution using noble metals as cocatalysts.

Reaction of a Co(III)-peroxo complex with nitric oxide: putative formation of a peroxynitrite intermediate.

A Co(II) complex, [CoII(L)2(H2O)2](ClO4)2, 1, having a bidentate ligand L [L = bis(3,5-dimethylpyrazolyl)methane] has been synthesized. Complex 1 in acetonitrile solution at -40 °C, in the presence of H2O2 and NEt3, afforded the corresponding Co(III)-peroxo species, [CoIII(L)2(O22-)]+, as the transient intermediate 1a. Thermal instability precluded its isolation and further characterization. The addition of nitric oxide (NO) gas into the freshly prepared [CoIII(L)2(O22-)]+ in acetonitrile at -40 °C resulted in the corresponding Co(II)-nitrato complex, [CoII(L)2(NO3)](ClO4) (2). The reaction is proposed to proceed through a putative Co(II)-peroxynitrite intermediate 1b. It was evidenced by the characteristic phenol ring nitration reaction.

Synthesis and Characterization of Homoleptic Rare Earth Nitrato Complexes with the Quaternary Ammonium Cations Et4N+ and nPr4N+

AbstractTwo periodic series of homoleptic rare earth nitrato complexes, [R4N]x[M(NO3)y] (M=La−Nd, Sm−Lu, Y); R=Et, Pr; x=2‐3; y=5‐6) have been synthesized, and characterized by single crystal X‐ray diffraction, IR and Raman spectroscopy, comparing the solid state speciation of the nitrate ions as a function of lanthanide ion and quaternary ammonium cation. The series of the form [Et4N]3[Ln(NO3)6] crystallizes in the rhombohedral space group R , as a twelve‐coordinate hexanitrato complex [Et4N]3[Ln(NO3)6] with cocrystallized HNO3 for La, Pr, and Nd. For Ce, a distinct orthorhombic phase retaining the same formula, [Et4N]3[Ce(NO3)6] is isolated in the absence of HNO3 to prevent oxidation of the Ce(III) to Ce(IV) in nitric acid. A ten‐coordinate pentanitrato complex, [Et4N]2[Ln(NO3)5], in monoclinic symmetry forms for the remainder of the series, and for Y(III). The entire series crystallized in the presence of [nPr4N]+ counterions forms a pentanitrato complex [nPr4N]2[M(NO3)5] in the orthorhombic space group, Pccn. Analysis of trends in the structural and spectroscopic characteristics of these series reveal insight into the structure‐directing influences of both the lanthanide contraction and the quaternary ammonium cations.

Ag(I)‐mediated hydrolysis of hydrazone to azine: Synthesis, X‐ray structure, and biological investigations of two new Ag(I)‐azine complexes

AbstractReactions of 2‐(1‐hydrazonoethyl)pyridine with silver salts AgX (X = NO3¯ or ClO4¯) proceeded via the hydrolysis of the pyridine ligand and the formation of the dinuclear [AgL1]2(ClO4)2 (1) and [AgL1(NO3)]2 (2) complexes of the azine ligand, 1,2‐bis(1‐(pyridin‐2‐yl)ethylidene)hydrazine (L1). The structures of the obtained complexes were determined by single crystal X‐ray diffraction. The azine ligand (L1) is acting as a bidentate ligand and connects the two Ag‐sites via the pyridine and the azine nitrogen atoms. In complex 1, the Ag(I) ion is tetra‐coordinated, while in complex 2 the Ag(I) ion is penta‐coordinated due to the presence of additional interaction with one of the oxygen atoms of the nitrate ion. As a result, the azine ligand is significantly twisted in complex 2 compared to complex 1. The optimized geometries of three conformers of L1 were calculated using DFT calculations, and their kinetic and thermodynamic stability were analyzed. It was found that a free rotation of L1 is required prior to the chelation of the Ag(I) ion. The packing in complex 1 is controlled by H…H, O…H, and Ag…O interactions, but in complex 2, the O…H and N…H interactions are the most significant. Complex 2 has better antifungal activity against Aspergillus fumigatus and Candida albicans than the antifungal drug Ketoconazole. Also, the nitrato complex 2 has a promising antioxidant activity compared to the perchlorate complex 1. The cytotoxicity against colon carcinoma HCT‐116 cell line is higher for complex 1 (IC50 = 19.72 ± 0.94 μg/ml) than complex 2 (IC50 = 68.31 ± 2.97 μg/ml).

Cyphos nitrate: A potential ionic liquid for the extraction and selective separation of plutonium (IV) from other metal ions present in nitric acid

Cyphos nitrate (Trihexyl(tetradecyl)phosphonium nitrate: [P66614][NO3]) is a well-known ionic liquid which is strongly hydrophobic and sustainable for the recovery of metal ions from waste matrix. In the present study, the ionic liquid was explored for the selectively separation of plutonium(IV) from uranium(VI), zirconium(IV), americium(III) and europium(III) present in the nitric acid medium in conjunction with 1,3-diisopropyl benzene (DIPB) as the diluent. The extraction factors of Pu(IV) were evaluated as a function of various experimental parameters such as the concentration of feed acidity, the concentration of ionic liquid, equilibration time, temperature, type of ionic liquid ions, etc. Facile formation of the anionic nitrato complex of Pu(IV) in the ionic liquid phase was found to be the driving force for the preferential extraction of Pu(IV) over other metal ions. Effect of radiation dose suggested the stability of the proposed ionic liquid by acquiring the similar extraction factors like that in the unirradiated ionic liquid phase. Remarkable separation factors of Pu(IV) over the aforementioned metal ions were computed and presented in the paper. Various thermodynamic parameters accompanied by the extraction as well as the back extraction processes of Pu(IV) from the loaded ionic liquid phase have been presented in detail.

Synthesis, X-ray structure, Hirshfeld analysis and DFT studies of Ni(II) complexes with pyridine-type ligands and monoanionic (SCN¯, N3¯ and NO3¯) ligands

The molecular and supramolecular structures of two self-assembled Ni(II) complexes with pyridine-type ligands (34Lut: 3,4-lutidine and 4Pic: 4-picoline) comprising different anions (SCN¯, N3¯and NO3¯) were presented. The dinuclear [Ni(34Lut)3(SCN)2]2(1) complexcomprises a hexa-coordinated Ni(II) with NiN5S coordination environment from three 34Lut, one isothiocyanate, in addition to two SCN¯ connecting the two Ni(II) centres via µ(1,3) coordination mode. Structure of complex 2 has the two complex units [Ni(4Pic)4(N3)2][Ni(4Pic)4(NO3)2], in which the two Ni(II) centers have also hexa-coordinated environments with NiN6 and NiN4O2 coordination spheres. In both units, there are four 4Pic ligand units coordinating the Ni(II) via the pyridine nitrogen atom and two anions in anti-positions to one another. In the first unit, the two azides have terminal coordination mode. In the second unit, there are two monodentate nitrate ions coordinating the Ni(II) ion via one oxygen atom. Molecular packing analysis using Hirshfeld calculations revealed the importance of the S…H (20.4%) and CH…π (25.2%) interactions in 1. For complex 2, the N…H (16.2%) and O…H (20.7%) contacts are the most important in [Ni(4Pic)4(N3)2] and [Ni(4Pic)4(NO3)2] complex units, respectively. The H…H contact percentages are 50.5, 54.6 and 51.3%, respectively which are the most common in all complex units. Using DFT calculations, the charge of the Ni(II) ion decreased to 0.7792, 0.8136 and 0.9377 e in the thiocyanato, azido and nitrato complexes, respectively. Using AIM calculations, the Ni-N, Ni-S and Ni-O bonds showed the characteristics of mainly closed shell interactions.

Tetranitratopalladate(II) Salts with Tetraalkylammonium Cations: Structural Aspects, Reactivity, and Applicability toward Palladium Deposition for Catalytic Applications.

A series of salts (R4N)2[Pd(NO3)4] (R = CH3, C2H5, n-C3H7; 1-3) were synthesized in high yield from a nitric acid solution of palladium. The salts were characterized by a combination of physicochemical methods, and their crystal structures were determined by X-ray diffraction. The conformation of the [Pd(NO3)4]2- anion was studied in detail using crystal structure data and density functional theory calculations. A combination of nonhygroscopicity and stability under normal conditions, together with thermolability, high solubility in various solvents, and the lability of nitrato ligands, makes salts 1-3 valuable starting materials for the synthesis of Pd compounds and the preparation of Pd-containing catalysts. In this work, these applications were illustrated by the synthesis of heteroleptic Pd(II) nitrato complexes with N-donor ligands and the preparation of Pd0.1Ni0.9/SiO2 catalysts, which worked well in H2 generation from hydrazine hydrate. Generally, it was shown that up to several weight percent of Pd can be deposited on various oxide/hydroxide supports using a straightforward chemisorption procedure from acetone solutions of 1-3.

Lanthanide nitrato complexes bridged by the bis-tridentate ligand 2,3,5,6-tetra(2-pyridyl)pyrazine: Syntheses, crystal structures, Hirshfeld surface analyses, luminescence properties, DFT calculations, and magnetic behavior

Six dinuclear lanthanide(III) nitrato complexes [Ln(NO3)3(H2O)]2(μ-tppz) (where tppz = 2,3,5,6-tetra(2-pyridyl) pyrazine and Ln(III) = Nd (1), Sm (2), Eu (3), Gd (4), Tb (5), and Dy (6)) with bis-tridentate N-heterocyclic 2,3,5,6-tetra(2-pyridyl)pyrazine as bridging ligand have been solvothermally synthesized and characterized via elemental analysis, infrared spectroscopy, thermogravimetric analysis, single-crystal X-ray diffraction, and powder X-ray diffraction. The 3-D Hirshfeld surface and 2-D fingerprint plots show that the main interactions in 1–6 are the O⋯H/H⋯O intermolecular interactions with relative contributions of about 62%. Although the poor lanthanide(III)-centered luminescence properties clearly point to the efficiency of nonradiative quenching processes (presence of water molecules in the coordination sphere of the lanthanide(III) ions), the ligand tppz is better suited to sensitize the lanthanide(III)'s emissions of EuIII and NdIII than SmIII, TbIII, and DyIII. Finally, the magnetic data of DyIII comple×6 reveals antiferromagnetic coupling between DyIII ions.

Nitric Oxide Dioxygenation by O2 Adducts of Manganese Porphyrins.

We describe here nitric oxide dioxygenation (NOD) by the dioxygen manganese porphyrin adducts Mn(Por)(η2-O2) (Por2- = the meso-tetra-phenyl or meso-tetra-p-tolylporphyrinato dianions, TPP2- and TTP2-). The Mn(Por)(η2-O2) was assembled by adding O2 to sublimed layers of MnII(Por). When NO was introduced and the temperature was slowly raised from 80 to 120 K, new IR bands with correlated intensities grew concomitant with depletion of the υ(O2) band. Isotope labeling experiments with 18O2, 15NO, and N18O combined with DFT calculations provide the basis for identifying the initial intermediates as the six-coordinate peroxynitrito complexes (ON)Mn(Por)(η1-OONO). Further warming to room temperature led to formation of the nitrato complexes Mn(Por)(η1-ONO2), thereby demonstrating the ability of these metal centers to promote NOD. However, comparable quantities of the nitrito complexes Mn(Por)(η1-ONO) are also formed. In contrast, when the analogous reactions were initiated with the weak σ-donor ligand tetrahydrofuran or dimethyl sulfide present in the layers, formation of Mn(Por)(η1-ONO2) is strongly favored (∼90%). The latter are formed via a 6-coordinate intermediate (L)Mn(Por)(η1-ONO2) (L = THF or DMS) that loses L upon warming. These reaction patterns are compared to those observed previously with analogous iron and cobalt porphyrin complexes.

Platinum(IV) Nitrato Complexes with 1,10-Phenanthroline

The reaction between 1,10-phenanthroline (phen) and a nitric acid solution of platinum was studied. It was shown that, in contrast to the earlier studied reactions with pyridine and piperazine, no solid phases were formed by the salts of anionic platinum(IV) nitrato complexes with the phenanthrolinium cation in this case due to their high solubility. The new molecular platinum(IV) complex containing 1,10-phenanthroline [Pt(phen)(NO3)4] (1) was prepared upon long-term exposure. The salt (phenH)4(NO3)2[Pt(NO3)6] (2) was synthesized by the reaction between phenanthrolinium dinitrate (phen · 2HNO3) and the salt (Bu4N)2[Pt(NO3)6] in acetonitrile with a high yield. The crystal structure of complexes 1 and 2 was characterized by X-ray diffraction. Complex 2 was studied by IR spectroscopy, thermal analysis, and solid-state magic-angle spinning (SS-MAS) 195Pt NMR spectroscopy. The results of this work could be used to develop the synthesis of new platinum complexes and for the preparation of platinum-containing heterogeneous catalysts.

Cerium(III) Nitrate Derived CeO2 Support Stabilising PtOx Active Species for Room Temperature CO Oxidation

AbstractA new approach for preparing a PtOx/CeO2 catalyst for low‐temperature CO oxidation has been developed. The approach includes; i) preparation of a CeO2 support through the controllable thermal decomposition of Ce(NO3)3 ⋅ 6H2O, and then ii) deposition of polynuclear platinum nitrato complexes ([H3O⊂18‐crown‐6]2[Pt2(μ2‐OH)2(NO3)8][Pt4(μ3‐OH)2(μ2‐OH)4(NO3)10]) on the CeO2 support. The NO3−‐rich ceria support produced at the onset temperature of Ce(NO3)3 ‐> CeO2 transformation (220 °C) yields the “PtOx/CeO2‐220” catalyst that shows intriguingly high activity in CO oxidation, at room temperature and below. To understand the nature of the low‐temperature catalytic activity, prepared catalysts have been studied using X‐ray photoelectron spectroscopy (XPS), Raman and operando X‐ray absorption fine structure spectroscopy (XAFS) and transmission electron microscopy (TEM).

Аддукты нитратокомплексов платины(IV) с 15-краун-5-эфиром

Изучена возможность выделения в твердую фазу нитратокомплексов платины(IV) из азотно-кислого раствора гидроксида платины(IV) в виде аддуктов с дибензо-18-краун-6, 15-краун-5 и 12-краун-4 эфирами. Обнаружено, что при испарении азотно-кислых растворов, содержащих 15-краун-5 эфир (15-С-5), образуется поликристаллический продукт — преимущественно смесь фаз состава (H3O⊂15-С-5)2[Pt(NO3)6] (1), (H3O⊂15-С-5)2(15-С-5)[Pt(NO3)6]∙2H2O (2) и (15-С-5)[Pt4(μ3-OH)2(μ2-OH)4(NO3)10]∙3H2O (3). Структура указанных соединений определена методом рентгеноструктурного анализа. В случае эфира дибензо-18-краун-6 взаимодействие с азотно-кислым раствором платины приводит к образованию плохо растворимого тетранитропроизводного макроциклического эфира. Испарение азотно-кислых растворов платины, содержащих эфир 12-краун-4, не позволяет получить твердые кристаллические фазы.

Structure and Properties of (C4N2H12)[Pt(NO3)6] Salt

From a nitrate solution of platinum(IV) hydroxide, (C4N2H12)[Pt(N03)6] salt containing a piperazinium cation is isolated. The salt structure is determined by X-ray crystallography. Crystallographic data are: a=15.589(1)A, b= 12.919(1) A, c = 9.889(9)A, β = 08.625(4)°, space group C2/c, Z=4, ρcalc= 2.306 g/cm3. In the structure, [Pt(NO3)6]2− anions having a shape of a trigonal antiprism are organized into a 3D network by the formation of hydrogen bonds with organic cations. For a series of salts containing [Pt(NO3)6]2− and [Pt2(ώ-OH)2(NO3)8]2− anionic platinum nitrato complexes a relationship between the structure and 195Pt MAS NMR spectra is shown.

Synthesis, characterization and biological study of new dinuclear zinc(II) and nickel(II) octaaza macrocyclic complexes

Two new nitrato complexes of zinc and nickel with 1,4,8,11-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc), have been synthesized and characterized. The IR spectral peaks showed that the coordinated and ionic nitrate ions are in agreement with the formula proposed by elemental analysis. Conductometric titrations predicted methanol to be a convenient solvent for synthesis and revealed the stoichiometry of the complexes, while molar electrical conductivities indicated a 1 : 3 complex electrolyte type for the zinc complex, and a 1 : 2 complex electrolyte type for the nickel complex. The optimized complex structure was obtained by molecular modeling and density functional theory calculations. The biological activity of the novel complexes was examined by screening eight different bacterial strains and two cancer cell lines. The zinc complex showed better antimicrobial activity against the bacterial strains, while the complexes did not show significance antiproliferative activity toward cancer cells MCF-7 and MDA-MB-231.

Tetraalkylammonium Salts of Platinum Nitrato Complexes: Isolation, Structure, and Relevance to the Preparation of PtOx/CeO2 Catalysts for Low-Temperature CO Oxidation

A series of tetraalkylammonium salts with anionic platinum nitrato complexes (Me4N)2[Pt2(μ-OH)2(NO3)8] (1), (Et4N)2[Pt2(μ-OH)2(NO3)8] (2), ( n-Pr4N)2[Pt2(μ-OH)2(NO3)8] (3b), ( n-Pr4N)2[Pt(NO3)6] (3a), and ( n-Bu4N)2[Pt(NO3)6] (4) were isolated from nitric acid solutions of [Pt(H2O)2(OH)4] in high yield. The structures of salts 2, 3a, 3b, and 4, prepared for the first time, were characterized by X-ray diffraction. The sorption of [Pt(NO3)6]2- and [Pt2(μ-OH)2(NO3)8]2- complexes onto the ceria surface from acetone solutions of salts 4 and 1 was examined. The dimeric anion was shown to quickly and irreversibly chemisorb onto the CeO2 carrier, selectively transforming into Pt(II) centers after thermal treatment, becoming active in the low-temperature CO oxidation reaction ( T50% = 110 °C at a space velocity of 240 000 h-1). By contrast, the homoleptic complex [Pt(NO3)6]2- did not interact with the ceria, which may be attributed to the substitutional inertness of the [Pt(NO3)6]2- anion. We believe that the strategy based on the sorption of polynuclear platinum nitrato complexes is an effective route to prepare ionic platinum species uniformly distributed on an oxide carrier for various catalytic applications.

2,4‐Dihydroxy‐5‐[(5‐mercapto‐1H‐1,2,4‐triazole‐3‐yl)diazenyl]benzaldehyde acetato, chloro and nitrato Cu(II) complexes: Synthesis, structural characterization, DNA binding and anticancer and antimicrobial activity

Acetato, chloro and nitrato Cu(II) complexes of a novel azo compound, namely 2,4‐dihydroxy‐5‐[(5‐mercapto‐1H‐1,2,4‐triazole‐3‐yl)diazenyl]benzaldehyde, have been prepared. The stoichiometry, stereochemistry and bonding fashion of these copper chelates were deduced via elemental analyses, spectral methods and conductivity and magnetic measurements. Infrared spectral data confirmed the participation of azo N atom and the deprotonated OH group. UV–visible spectral data and magnetic measurements indicated octahedral stereo‐structure for the acetato and nitrato compounds and square planer for the chloro compound. Thermogravimetric analysis was applied to investigate the thermal degradation of the metal chelates. The thermo‐kinetic parameters were computed. The molecular modeling technique was used to support the predicted geometry of the prepared chelates. The interaction between the Cu(II) complexes and calf thymus DNA was studied using two techniques: absorption and viscosity measurements. The values of binding constant obtained from the absorption spectral method were calculated and found to be 4.23 × 104, 26.93 × 104, 13.01 × 104 and 5.36 × 104 M−1 for ligand and acetato, chloro and nitrato complexes, respectively. The antimicrobial activities were evaluated against various bacterial and fungi strains. The in vitro antitumor efficacy of the synthesized compounds was investigated against the HEPG2 cell line.