Macrocyclic Complexes Research Articles

Macrocyclic Metal Complexes of Tetradentate Hydrazone Ligand: Synthesis, Characterization and its Applications

Macrocyclic Metal Complexes of Tetradentate Hydrazone Ligand: Synthesis, Characterization and its Applications

Template Synthesis of Cyclometalated Macrocycle Iridium(III) Complexes Based on Photoinduced C-N Cross-Coupling Reactions In Situ.

The synthesis of metal macrocycle complexes holds paramount importance in coordination and supramolecular chemistry. Toward this end, we report a new, mild, and efficient protocol for the synthesis of cyclometalated macrocycle Ir(III) complexes: [Ir(L1)](PF6) (1), [Ir(L2)](PF6) (2), and [Ir(L3)](PF6) (3), where L1 presents 10,17-dioxa-3,6-diaza-2(2,8),7(8,2)-diquinolina-1,8(1,4)-dibenzenacyclooctadecaphane, L2 is 10,13,16,19,22,25-hexaoxa-3,6-diaza-2(2,8),7(8,2)-diquinolina-1,8(1,4)-dibenzenacyclohexacosaphane, and L3 is 4-methyl-10,13,16,19,22,25-hexaoxa-3,6-diaza-2(2,8),7(8,2)-diquinolina-1,8(1,4)-dibenzenacyclohexacosaphane. This synthesis involves the preassembly of two symmetric 2-phenylquinoline arms into C-shape complexes, followed by cyclization with diamine via in situ interligand C-N cross-coupling, employing a metal ion as a template. Moreover, the synthetic yield of these cyclometalated Ir(III) complexes, tethered by an 18-crown-6 ether-like chain, is significantly enhanced in the presence of K+ ion as a template. The resultant cyclometalated macrocycle Ir(III) complexes exhibit high stability, efficient singlet oxygen generation, and superior catalytic activity for the aerobic selective oxidation of sulfides into sulfoxides under visible light irradiation in aqueous media at room temperature. The photocatalyst 2 demonstrates recyclability and can be reused at least 10 times without a significant loss of catalytic activity. These results unveil a new and complementary approach to the design and in situ synthesis of cyclometalated macrocycle Ir(III) complexes via a mild interligand-coupling strategy.

TEMPLATE-ENGINEERED TRIVALENT IRON AND CHROMIUM CONTAINING MACROCYCLIC COMPLEXES: CHARACTERIZATION AND IN VITRO STUDIES

A novel series of tetraaza macrocyclic complexes of biological importance was synthesized by “in situ” template reaction between triethylenetetramine and dibenzoylmethane in the presence of trivalent Fe and Cr metal salts in 1:1:1 molar ratio. These complexes are represented by molecular formula [M(C[Formula: see text]H[Formula: see text]N[Formula: see text]X]X2; [Formula: see text](III) and Cr(III); [Formula: see text], NO[Formula: see text], −OAc; C[Formula: see text]H[Formula: see text]N[Formula: see text] ligand. The reported complexes were characterized by using various physicochemical and spectroscopic techniques including elemental analyses, molar conductance, thermo-gravimetric analysis, FTIR, UV–Visible and mass spectral studies. The results obtained from analytical techniques and spectroscopic techniques together suggested the complexes have a square pyramidal geometry. Various computational studies were performed including molecular docking and modeling. Further, macrocyclic complexes were also screened for their “in vitro” antimicrobial activity against selected bacterial and fungal strains. The antioxidant activity of these complexes was also evaluated. Some of the complexes were found to possess remarkable antimicrobial activity and antioxidant activity. However, complex [Fe(C[Formula: see text]H[Formula: see text]N[Formula: see text](NO[Formula: see text]](NO[Formula: see text] was found to be most potent against selected bacterial and fungal strains. On the other hand, complex [Cr(C[Formula: see text]H[Formula: see text]N[Formula: see text](NO[Formula: see text]](NO[Formula: see text] was found to show best antioxidant activity with lowest value of IC[Formula: see text].

Design, synthesis, and pharmacological efficacy of sonication-irradiated nanostructured transition metal (II) designed macrocyclic complexes

The synthesis of transition metal (II) complexes from aspartic acid was accomplished by using sonication irradiation in this work. Sonication irradiation is a straightforward and efficient technique for synthesis. Physiological and spectroscopic studies were carried out to investigate the process of assembling nanostructured complexes. Using the serial dilution (2-fold) and free radical scavenging (DPPH) procedures, the antioxidant and antibacterial activity were assessed, respectively. Various bacteria, including Gram-positive and Gram-negative strains and fungi, were tested to determine the antimicrobial efficacies of the macrocyclic ligand and its accompanying metal complexes. The inhibitory results on microbes showed that metal complexes had more potent antibacterial effects than their Schiff base ligands. The findings demonstrated that the biological activity had a positive impact. Sonication irradiation of some complexes increased the movement of those complexes at concentrations ranging from 3.125 to 6.250 μg/ml (MIC). The Gaussian 09 software was utilized to simulate the three-dimensional structure of the complexes, the chemical reactivity of the produced macrocyclic ligand, and the binding energy of its complexes’ EHOMO and ELUMO energies using the B3LYP Density Functional Theory (DFT) method. This method is well-suited for pharmaceutical applications in the real world since it requires little effort to set up, produces a high yield, and requires a relatively small amount of solvent.

Linear, Planar, Orbicular, and Macrocyclic Multinuclear Zinc (Meth)acrylate Complexes.

Zinc carboxylate complexes are widely utilized as artificial models of metalloenzymes and as secondary building units of PCPs/MOFs. However, the relationship between the structure of the monodentate carboxylato ligand and the molecular arrangement of multinuclear zinc carboxylate complexes is not fully understood because of the coordination flexibility of the Zn ion and carboxylato ligands. Herein, we report the structural analysis of a series of complexes derived from zinc (meth)acrylate which has a linear infinite chain structure. The molecular structure of μ4-oxido-bridged tetranuclear complexes [Zn4(μ4-O)(OCOR)6] revealed a distorted Zn4O core. Crystallization of zinc acrylate under aqueous conditions afforded a μ3-hydroxido-containing pentanuclear complex [Zn5(μ3-OH)2(OCOR)8] as the repeating unit of an infinite sheet-like structure in the solid state. It was also obtained by the hydrolysis of the μ4-oxido-bridged tetranuclear complex. In sharp contrast, the methacrylate analog retained the methacrylato ligands under aqueous crystallization conditions to form a macrocyclic dodecanuclear complex with methacrylato as the sole ligand.

The effectiveness of acaricidal drugs in bovine psoroptosis

The report presents the results of acaricides using from the macrocyclic lactones group and complex drug administration which includes deltamethrin, diflubenzuron and piperonyl butoxide by psoroptic scab of cattle. There was research at the beefproducing farm (Aberdeen Angus breed). It was four groups (n=10 by each). Animals of the 1st experimental group have received «Meradoc» drug (doramectin 1%, subcutaneous introduction, the neck area), 2d experimental group – «Ivermec» drug (ivermectin 1%, 1 ml per 50 kg, subcutaneous introduction, the neck area), 3d experimental group – «Deltsid 7.5» by single dose (15 ml per 100 kg) by the application on skin vertebral from the head to the tail. The 4th group was control without acaricidal treatment. It was found the single using of macrocyclic lactones groups’ drugs were destroyed only the larval, nymphal and imaginal phases of acarian Psoroptes without ticks’ eggs extermination. The scraping was included ticks’ eggs on 7th day after «Deltsid 7.5» drug using, but it wasn’t detected any larval, imaginal phases and ticks’ eggs on the 14th, 21st and 28th days after beginning of animal’s treatment. Moreover, to the 28th days there were registered the hair restoration and the skin in affected areas without compaction and folding. The using of complex drug «Deltsid 7.5» is more effective treatment of psoroptic scab of cattle. This drug has the acaricidal effect on the preimaginal phases Acariformes. There were blocked the enzymes activity which destroy the drug’s effect. To take on the Acariformes resistibility by acaricides it should be control the quality of anti-acaricidal treatments by microscopy of skin scrapings. The recommendation in the case of the positive result’s getting is the treatment alternation.

Multinuclear Tin-Based Macrocyclic Organometallic Resist for EUV Photolithography.

We report a new photoresist based on a multinuclear tin-based macrocyclic complex and its performance for extreme UV (EUV) photolithography. The new photoresist has a trinuclear macrocyclic structure containing three salicylhydroxamic acid ligands and six Sn-CH3 bonds, which was confirmed by multinuclear nuclear magnetic resonance (NMR) and FT-IR spectroscopies and single-crystal X-ray diffraction study. The resist exhibited good humidity, air, and thermal stabilities, while showing good photochemical reactivity. Photochemical cross-linking of the resist was confirmed by X-ray photoelectron and solid-state NMR spectroscopic analyses. EUV photolithography with the 44 nm-thick film on a silicon wafer revealed a line-edge-roughness (LER) of 1.1 nm in a 20 nm half-pitch pattern. The Z-factor, a metric that gauges the performance of photoresists by considering the tradeoff between resolution, LER, and sensitivity (RLS), was estimated to be 1.28 × 10-8 mJ·nm3, indicating its great performance compared to the EUV photoresists reported in the literature.

Macrocyclic Copper(II) Complexes as Catalysts for Electrochemically Mediated Atom Transfer.

Copper-catalyzed electrochemical atom transfer radical addition (eATRA) is a new method for the creation of new C-C bonds under mild conditions. In this work, we have explored the reactivity of an analogous series of N4 macrocyclic CuII complexes as eATRA precatalysts, which are primed by reduction to their monovalent oxidation state. These complexes were fully characterized structurally, spectroscopically, and electrochemically. A spectrum of radical activation reactivity was found across the series [CuI(Me4cyclen)(NCMe)]+ (Me4cyclen = 1,4,7,10-tetramethyl-1,4,7,10-tetraazacyclododecane), [CuI(Me4cyclam)(NCMe)]+ (Me4cyclam = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane), and [CuI(Me2py2clen)(NCMe)]+ (Me2py2clen = 3,7-dimethyl-3,7-diaza-1,5(2,6)-dipyridinacyclo-octaphane). The rate of radical production by [Cu(Me2py2clen)(NCMe)]+ was modest, but rapid radical capture to form the organocopper complex [CuI(Me2py2clen)(CH2CN)] led to a dramatic acceleration in catalysis, greater than seen in any comparable Cu complex, but this led to rapid radical self-termination instead of radical addition.

Synthesis and characterizations of Hg (II) Complex of Macrocyclic complexes compounds Tetradecahydrodibenzo hexaazacyclooctadecine with HgX2 (X= Cl, Br) by Hirshfeld analysis and antimicrobial activity

This study examines the synthesis and characterization of a macrocyclic complex molecule having the general formula [M-LX2], where M =Hg (II) with schiff base Tetradecahydrodibenzo hexaazacyclooctadecine ligands. Resulted from the interaction between mercury and the diethyl triamine and benzene- 1, 2 diol in an ethanolic solution. Schiff base and its novel mercury (II) Complexes were studied vibrational in the solid state using spectral, 1H-NMR, IR, UV, and antimicrobial activity approaches. We were able to establish the coordination mode of the metal in complexes by comparing the changes in the ligands' and complexes' FT-IR and UV-Visible spectra.
 Keywords: MERCURY (II), Schiff bases, IR, 1H-NMR, PXRD Spectroscopy.

Catalytic Chain Transfer in Crosslinking Photopolymerizations

AbstractPresented here is a detailed account of the development and implementation of macrocyclic cobaloxime complexes as sulfur-free, catalytic chain transfer agents (CTAs) in crosslinking photopolymerizations. Although much of this review is dedicated to understanding the fundamentals of catalytic chain transfer (CCT) in photopolymerizations, its impact on network topology and resultant mechanical properties, future goals of applying this technology to multimaterial 3D printing are also discussed. It is our long-term ambition for catalytic, sulfur-free CTAs to supplant existing consumptive, sulfur-based agents to provide new, unexplored, and not currently possible to fabricate photopolymeric materials with a specific eye towards application in dentistry, additive manufacturing, and responsive materials.1 Introduction2 History of Catalytic Chain Transfer (CCT)3 Understanding Catalyst Purity and Chain Transfer Activity4 Evidencing CCT in a Crosslinking Photopolymerization5 Comparing Cobalt(II)-Catalysts to Other Relevant CTAs6 Performance of Cobalt(II)-Catalysts in Commercial Resins7 Limitations of Approach and Looking Forward

Kinetic-mechanistic studies of ruthenium macrocyclic complexes formation as potential donors and scavengers of nitric oxide and correlated species

Kinetic-mechanistic studies of ruthenium macrocyclic complexes formation as potential donors and scavengers of nitric oxide and correlated species

A Three-Dimensionally Extended Metal-Organic Ladder Compound Exhibiting Proton Conduction.

Ladder systems situated in the dimensional crossover region have attracted much attention because their electronic states and physical properties depend strongly on the electronic correlations among the constituent legs. Generally, two-/three-legged transition metal-oxide ladder compounds are studied as representative ladder systems, but two-/three-dimensional (2D/3D) extensions based on such ladder systems with a few numbers of legs are difficult because of the extreme synthesis conditions. Here, for the first time, we report the successful creation of a 3D extended two-legged ladder compound, [Pt(en)(dpye)I]2(NO3)4 ⋅ 2H2O (en=ethylenediamine; dpye=1,2-Di(4-pyridyl)ethane), which is obtained by simple oxidative polymerization of a small Pt macrocyclic complex using elemental I2. The unique 3D extended lattice consists of 1D mixed-valence halogen-bridged metal chains (⋅⋅⋅Pt-I-Pt-I⋅⋅⋅) and helically arranged macrocyclic units as the constituent legs and rungs, as confirmed by single-crystal X-ray diffraction. Diffuse X-ray scattering analyses and optical measurements revealed that the out-of-phase mixed-valence Pt2+/Pt4+ arrangement arises from the weak interchain correlation among adjacent legs. In addition, this compound shows an increase in proton conductivity by a factor of up to 1000, depending on humidity.

A Three‐Dimensionally Extended Metal–Organic Ladder Compound Exhibiting Proton Conduction

AbstractLadder systems situated in the dimensional crossover region have attracted much attention because their electronic states and physical properties depend strongly on the electronic correlations among the constituent legs. Generally, two‐/three‐legged transition metal‐oxide ladder compounds are studied as representative ladder systems, but two‐/three‐dimensional (2D/3D) extensions based on such ladder systems with a few numbers of legs are difficult because of the extreme synthesis conditions. Here, for the first time, we report the successful creation of a 3D extended two‐legged ladder compound, [Pt(en)(dpye)I]2(NO3)4 ⋅ 2H2O (en=ethylenediamine; dpye=1,2‐Di(4‐pyridyl)ethane), which is obtained by simple oxidative polymerization of a small Pt macrocyclic complex using elemental I2. The unique 3D extended lattice consists of 1D mixed‐valence halogen‐bridged metal chains (⋅⋅⋅Pt−I−Pt−I⋅⋅⋅) and helically arranged macrocyclic units as the constituent legs and rungs, as confirmed by single‐crystal X‐ray diffraction. Diffuse X‐ray scattering analyses and optical measurements revealed that the out‐of‐phase mixed‐valence Pt2+/Pt4+ arrangement arises from the weak interchain correlation among adjacent legs. In addition, this compound shows an increase in proton conductivity by a factor of up to 1000, depending on humidity.

Spectroscopy and absolute quantum efficiency of near-infrared electrochemiluminescence for a macrocyclic palladium complex

Electrochemiluminescence (ECL) is widely applied as a reliable tool in clinical diagnosis, including immunoassays, cancer biomarker detection, etc. Metal complexes with emission in the near-infrared (NIR) range possess distinct features such as high transmission and minimal tissue auto-absorption, making them versatile for applications in biosensing and other fields. Through ECL spectral studies of an O-linked nonaromatic benzitripyrrin (C^N^N^N) macrocyclic palladium complex (Pd1) with multiple pyrrole structures, we observed emission peaks from the Qx(0,0) and its vibronic Qx(0,1) bands during both photoluminescence (PL) and ECL. Notably, the emission from the Qx(0,1) band was significantly enhanced in the ECL spectrum, demonstrating higher selectivity for near-infrared light at 743 nm. In the ECL annihilation pathway, the appearance of ECL signals showed a strong correlation with the redox processes of the tri-pyrrin structure, revealing a cyclic tri-pyrrin ligand-centered nature with contributions from the metal center. Upon the introduction of tripropylamine (TPrA) and benzoyl peroxide (BPO) coreactants, the ECL signals exhibited enhancements ranging from several hundred to tens of times. Various reaction routes within different coreactant systems are extensively discussed. Additionally, the absolute quantum efficiencies of the Pd1/TPrA coreactant system were determined, showing efficiencies of 0.0032% ± 0.0005% and 0.000074% ± 0.000016% during pulsing and CV scan processes, respectively. This work addresses gaps in the study of palladacycle complexes in ECL and provides insights into the design of NIR luminescent structures that contribute to the fast screening and deep tissue penetration bioimaging techniques.

Design, synthesis, characterization, in vitro cytotoxic, antimicrobial, antioxidant studies, DFT, thermal and molecular docking evaluation of biocompatible Co(II) complexes of N4O4-macrocyclic ligands

Bioactive cobalt (II) macrocyclic complexes [Co(N4O4ML1)Cl2]-[Co(N4O4ML3)Cl2] have been synthesized by using the macrocyclic ligands [N4O4ML1], [N4O4ML2], and [N4O4ML3] that have an N4O4 core. These three macrocyclic ligands were all isolated in pure form, together with their complexes. Microanalytical investigations, FT-IR NMR, Mass, magnetic moments, electronic, PXRD, TGA, and EPR spectrum studies were used to analyse their structures. For these complexes, an octahedral geometry is proposed for the metal ion. By using molecular weights and conductivity measurements the monomeric and non-electrolytic nature has been confirmed. The Coats-Redfern and FWO methods are used to determine the thermodynamic characteristics of the ligands and their Co(II) complexes. The molecular modelling using the DFT technique displays the bond angle, bond lengths and quantum chemical properties. To determine their ability to prevent the growth of harmful fungus and bacteria, the ligands [N4O4ML1]- [N4O4ML3] and their complexes were tested in vitro against A. Niger, C. albicans and B. subtilis, S. aureus, E. coli and S. typhi fungal and bacterial organisms, respectively. By using DPPH free radical scavenger assays, the in vitro antioxidant capabilities of each compound were evaluated. The [Co(N4O4ML3)Cl2] antioxidative capabilities revealed significant radical scavenging power. The MTT assay was used to assess the toxicity of all the synthesised compounds under inquiry on MCF-7, HeLa, and A549 cancer cells. The findings revealed that the ligand and the compounds gave outstanding IC50 values in the range of 9.07–36.25 (uM) at a concentration of 25 ppm. Among all the substances evaluated, [Co(N4O4ML3)Cl2] complex was discovered to be the most active and least cytotoxic. Additionally, docking investigations of the produced compounds were carried out in order to validate the biological outcomes.

Metal–N4 model single‐atom catalyst with electroneutral quadri‐pyridine macrocyclic ligand for CO2 electroreduction

AbstractMetal–N–C single‐atom catalysts, mostly prepared from pyrolysis of metal‐organic precursors, are widely used in heterogeneous electrocatalysis. Since metal sites with diverse local structures coexist in this type of material and it is challenging to characterize the local structure, a reliable structure–property relationship is difficult to establish. Conjugated macrocyclic complexes adsorbed on carbon support are well‐defined models to mimic the single‐atom catalysts. Metal–N4 site with four electroneutral pyridine‐type ligands embedded in a graphene layer is the most commonly proposed structure of the active site of single‐atom catalysts, but its molecular counterpart has not been reported. In this work, we synthesized the conjugated macrocyclic complexes with a metal center (Co, Fe, or Ni) coordinated with four electroneutral pyridinic ligands as model catalysts for CO2 electroreduction. For comparison, the complexes with anionic quadri‐pyridine macrocyclic ligand were also prepared. The Co complex with the electroneutral ligand expressed a turnover frequency of CO formation more than an order of magnitude higher than that of the Co complex with the anionic ligand. Constrained ab initio molecular dynamics simulations based on the well‐defined structures of the model catalysts indicate that the Co complex with the electroneutral ligand possesses a stronger ability to mediate electron transfer from carbon to CO2.

Synthesis, Luminescence and Relaxometric Properties of Macrocyclic Lanthanide Complexes Appended with an Imidazothiadiazole, a Heterocyclic Bioactive Scaffold

AbstractThe syntheses of two macrocycles containing original imidazothiadiazole heterocycles are presented. The protonation constants of the ligands have been determined by potentiometry and photophysical measurements. The photophysical properties of the corresponding Tb3+ complexes have been analyzed and the sensitization of the Tb3+ by the heterocyclic moiety demonstrated with modest quantum yields. The corresponding Gd3+ complexes are monohydrated and display higher relaxivities than GdDOTA, which could be explained by the larger size of these complexes. The different substitutions on the heterocycle do not affect strongly the protonation constants of the ligand, the quantum yield, water exchange rate or relaxation properties of the system.

Synthesis of Interlocked and Non-Interlocked Deca(para-phenylene) Derivatives by Ni-mediated Biaryl Coupling.

Oligo(para-phenylene) (PPn) is a compound composed of directly connected 1,4-phenylene moieties. The synthesis of PPn composed of six or more phenylene moieties with no substituent at the internal phenylene moiety has been challenging because of its low solubility. Herein we synthesized oligo(para-phenylene)[2]rotaxanes, including a deca(para-phenylene)[2]rotaxane, with a defined number of phenylene moieties. Biaryl coupling of iodoarenes mediated by macrocyclic dibenzodihydrophenanthroline-Ni complex was utilized for the first time to synthesize the [2]rotaxanes. Compared to the non-interlocked deca(para-phenylene), the deca(para-phenylene)[2]rotaxane showed higher solubility. The properties of the oligo(para-phenylene)[2]rotaxanes and non-interlocked oligo(para-phenylene)s were analyzed by spectroscopic methods.

Electrocatalytic Nitrite Reduction in Neutral Water with Ni(II) and Co(II) Macrocycle Complexes: Catalytic Evaluation and Mechanistic Elucidation

AbstractNitrite anions, of anthropogenic origin, in the environment disrupt the nitrogen cycle making the electrocatalytic reduction of nitrite a significant objective. Homogeneous Ni(II) and Co(II) complexes bearing a macrocyclic supporting ligand consisting of a tridentate redox active bis(imino)pyridine moiety coupled with a tertiary amine donor site are effective and selective for the electrocatalytic reduction of nitrite to ammonium ion and hydroxylamine in buffered (pH 7) aqueous solutions. Controlled potential coulometry at potentials from −0.98 to −1.05 V vs Ag/AgCl in 4‐morpholinepropanesulfonic acid (MOPS) buffer yielded ammonium as the major product with Faradaic efficiencies ranging from 76–90 %. A foot‐of‐the‐wave analysis yielded calculated turn‐over frequencies of 61 s−1and 28 s−1 for the Ni and Co complexes, respectively. The Ni complex displayed a higher selectivity for NH4+/NH2OH than the Co analog. A computational examination of the catalytic mechanism of the Ni complex was used to support and elucidate the proposed chemical steps, provide some energetic details of the electron and proton transfers, and present a rationale for the selectivity of this reduction.

Novel amide based macrocyclic complexes of Co(II): Synthesis, structural characterization, thermal, DFT, molecular docking studies, in vitro cytotoxic, antimicrobial and antioxidant evaluation

The novel cobalt (II) macrocyclic complexes [Co(N4O4MacL1)Cl2]-[Co(N4O4MacL3)Cl2] have been synthesized by using the macrocyclic ligands [N4O4MacL1], [N4O4MacL2] and [N4O4MacL3] that have an N4O4 core. To investigate Co(II), metal complexes [Co(N4O4MacL1)Cl2]-[Co(N4O4MacL3)Cl2] with new ligands, elemental analyses, infrared, magnetic measurements, UV–visible, 1H NMR, 13C NMR, and XRD studies were utilised. According to the spectrum data, the ligands perform as a mononegative tetradentate. Based on magnetic and electronic spectrum data, an octahedral structure for Co(II) metal complexes has been postulated. The Coats-Redfern and FWO techniques are used to determine the thermodynamic characteristics of ligands and their complexes. The molecular modelling using the DFT technique displays bond angles, bond lengths, and quantum chemical factors. To determine their ability to prevent the growth of harmful fungus and bacteria, the ligands [N4O4MacL1]- [N4O4MacL3] and their complexes were tested in vitro against A. Niger, C. albicans and B. subtilis, S. aureus, E. coli and S. typhi fungal and bacterial organisms, respectively. By using DPPH free radical scavenger assays, the in vitro antioxidant capabilities of each compound were evaluated. The [Co(N4O4MacL3)Cl2] antioxidative capabilities revealed significant radical scavenging power. All of the compounds under research were examined for cytotoxicity using the MTT assay on MCF-7 and HepG-2 cells, and the findings revealed that [Co(N4O4MacL2)Cl2] show outstanding cytotoxic activity against HepG-2 with IC50 17.94 ± 045 at a concentration of 25 ppm. Additionally, docking investigations of the produced compounds were carried out in order to validate the biological outcomes. Considerably, the current Co (II) complexes with their effective antimicrobial, antioxidant, and cytotoxicity activity would be probably appraised for further medicinal and pharmaceutical applications.