Catecholase-like Activity Research Articles

Chinese-Lantern shaped [MnII2MnIII6NaI3] cluster assembled from Schiff base and azide bridges: Synthesis, magnetic study and catecholase-like activity

A multisite Schiff base, H2damp, derived from the condensation of o-vanillin and a sterically constrained amino-alcohol (2-amino-2-methylpropan-1-ol) was utilized to isolate a new mixed valence heterometallic complex [Na3MnIII6MnII2(damp)6(µ4-O)2(µ1,3-O2CCH3)2(µ1,1-N3)6(µ1,1,3-N3)(H2O)2]·5H2O·CH3OH (1). Room temperature reaction of H2damp in MeOH with Mn(II) acetate and NaN3 provided the complex having MnII2MnIII6NaI3 core. X-ray structure determination revealed the use of azide ancillary ligands for the growth of the complex on ligand-bound MnIII3O fragments. The variable temperature magnetic characterization of 1 revealed intramolecular anti-ferromagnetic exchange interactions. Complex 1 also showed catalytic property for the aerial oxidation of 3,5-di-tert-butyl catechol (3,5-DTBCH2) with a turnover number (kcat) of 392 h−1. EPR and mass spectrometric analysis established the probable mechanism of catalytic oxidase reactivity on the model substrate. In EPR study the characteristic peak at g ∼ 2 allowed us to spot the presence of an organic radical confirming the conversion of DTBCH2 to DTBQ in radical pathway.

Amino-Induced Modulation of Electronic State and Neighboring Site Distance through Second Shell Boosted Catecholase-Mimicking Activity of Electron-Rich Cu Center.

Boosting the biomimetic catalytic activity of nanozyme is important for its potential application. One common strategy to achieve this goal mainly focused on manipulating the electronic state of metal site through the first coordination shell to modulate the adsorption/desorption strength of related reactant, intermediate and/or product, but remained challenging. Taking Cu-based catecholase-mimicking nanozyme for example, this work herein reports a different strategy involving amino-induced modulation of electronic state through the second shell to raise the electron density of Cu site, which further triggers the repulsion effect between neighboring geminal Cu centers to increase the Cu─Cu distance. The resulting nanozyme with electron-rich Cu site (DT-Cu) presents a lower work function and an upshifted d-band center in comparison with its counterpart (i.e., relatively electron-deficient TA-Cu), which promotes the electron transfer and enhances the adsorption strengths of Cu site for O2, catechol and H2O2 intermediate. The longer Cu─Cu distance of DT-Cu accelerated the O─O bond dissociation of H2O2 intermediate. This expedites the oxygen reduction process during catecholase-like catalysis, which together with the enhanced O2/H2O2/catechol adsorption corporately boosts the catecholase-like activity of DT-Cu.

Theoretical and experimental demonstration of mononuclear Ni(II) and dinuclear Ni(III) complexes concerning their catalytic activity, DNA/ protein binding efficacy

The successful use of metal complexes in enzyme catalysis and biomedical applications boosts researchers to develop more and more metal-based compounds to inspect their said applications.In the present work one novel mononuclear Ni(II) [Ni(L1)2] (1) and one di nuclear Ni(III) complexes [Ni(L2)2(N3)2] (2) have been developed by utilizing N2O donor Schiff base ligand HL1 and N2O2 donor Schiff base ligand H2L2 respectively. The single crystal data analysis reveals that in complex 1 two deprotonated ligands coordinate to the Ni(II) forming a distorted octahedral geometry. The asymmetric unit of complex 2 comprises one deprotonated ligand (both the protons of phenolic –OH group were deprotonated), one azide anion, and one Ni(III). Two Ni(III) centers are connected via phenoxide bridging. Followed by the structural analysis the UV spectroscopic study is performed to understand the catecholase-like activity of the developed complexes by using 3,5-di-tertbutyl catechol (3,5-DTBC). The calculated turnover numbers (Kcat) for both complexes disclose the fact that complex2 is more susceptible to this catalytic process than 1. During the catalysis process, the production of Ni(II) in the case of complex2is favorable and this is the main factor to show its higher susceptibilitytowards the catalytic process. The biomedical applicability in terms of anticancer and antibacterial of complexes 1 and 2 is assessed by evaluating their interaction ability with DNA and HSA with the help of several spectroscopic approaches. The remarkably high complex-macromolecules binding constant values, obtained from electronic titration approve the binding efficacy of the target complexes (order ∼ 105). But if a tiny comparison is done then it is seen that complex 2 shows better DNA and HSA binding efficacy. The theoretical approach using molecular docking study fully validates the experimental findings.

Structures, electrical properties and catecholase-like activity of a series of new copper(II) coordination polymers supported by azido bridges

A series of new copper(II)-azido complexes of 1D polymeric chains of [Cu(L1)(μ1,3-N3)]n (1) and [Cu(L2)(μ1,3-N3)]n (2), and binuclear [Cu(L3)(μ1,1-N3)]2 (3) [HL1 = N-butyl-N-(5-bromosalcylidine)ethane-1,2-diamine, HL2 = N-butyl-N-(5-chlorosalcylidine)ethane-1,2-diamine, HL3 = N-butyl-N-(salcylidine)ethane-1,2-diamine] have been synthesized and characterized. Characterizations of 1–3 have been accomplished by usual physico-chemical techniques such as elemental analysis, FTIR, UV–vis and single crystal X-ray diffraction studies. X-ray diffraction analyses of 1 and 2 reveal that the monomeric units of 1D polymers are interconnected via the μ1,3-azido bridging. The coordination geometry around the copper(II) centers in 1 and 2 can be best described as distorted square pyramidal environments. Complex 3 shows a centrosymmetric structure with two copper(II) centers that are held together by μ1,1-azido bridging in a distorted square pyramidal environment. In the electrical studies of 1–3, both direct current (dc) and alternating current (ac) analyses have been carried out based on the metal-complex (1/2/3)-metal (M-S-M) structures. The sheet resistance of the deposited films and the metal-complex contact resistance are estimated by employing transfer length method (TLM) measurements. The dark current-voltage characteristics of Al-complex (1/2/3)-Al structures are analyzed by considering dual back-to-back Schottky barrier diode structure. The voltage variations of the device current under illumination (400–700 nm) clearly demonstrate the photo-sensitivity of these materials. The catalytic activities of 1–3 have been investigated towards aerial oxidation of 3,5-di-tert-butylcatechol. All three complexes exhibit potential catalytic effectiveness towards oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC) to 3,5-di-tert-butyl-o-quinone (3,5-DTBQ) with turnover numbers 14.76, 33.92 and 81.02 h−1 for 1, 2 and 3, respectively.

Structural characterization of benzoate anion-supported supramolecular assemblages of Co(III) and Ni(II) cyclam compounds with catecholase-like and antibacterial activities

Two mononuclear compounds, cis-[Co(cyclam)(Bz)2](Bz)·H2O (1), and trans-[Ni(cyclam)(H2O)2](MOBA)2·4H2O (2) (where Bz = benzoate and MOBA = o-methoxy benzoate) have been synthesized and characterized by elemental analyses, spectroscopy, X-ray diffraction, and thermogravimetric techniques. Compounds 1 and 2 crystallize in a monoclinic crystal system with P21/c and P21/n space groups, respectively. The carboxylate ligand in compound 1 enables the cyclam ligand to adopt a cis-V conformation, while in compound 2, cyclam adopts a stable trans-III conformation. Hirshfeld surface analyses were carried out to elucidate the intricate intermolecular forces shaping the crystal structure. The ability of compounds 1 and 2 to imitate the activities of the catechol oxidase enzyme was evaluated using 3,5-di-tert-butyl catechol (3,5-DTBC) as the model substrate. The antibacterial activity was investigated using the Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli bacterial strains. Interestingly, compound 1 exhibited higher catecholase-like activity than compound 2 and enhanced antibacterial activity.

MOF-818(Cu)-derived bi-nanozymes of laccase and catecholase mimics and colorimetric sensing to epinephrine

Cu-based nanozyme shows good oxidase-like activities due to the changeable states of Cu(II) and Cu(I), which are proven to be effective in the electron transfer in the redox process. Herein, the self-made MOF-818 with more Cu(II) loading was synthesized through a modified two-steps hydrothermal routes, which was then used as a sacrificial precursor to construct copper/zirconium composite oxides nanozymes (CN-MOF-818). The pyrolysis temperature was varied to obtain the best enzyme-like activities of the resulting CN-MOF-818. The laccase-like and catecholase-like activities were evaluated by using the oxidation of the mixture of 4-aminoantipyrine (4-AAP) and 2,4-dichlorophenol (2,4-DP), and 3,5-Di-tert-butylcatechol (3,5-DTBC) respectively. The enzyme-like activities were optimized through altering the catalytic conditions, and the corresponding enzyme catalytic kinetics including Km and Vmax were also determined. The enzyme-like mechanism of the CN-MOF-818 were also discussed based on EPR technique and the in-situ FT-IR analyses. In comparison with the pristine MOF-818 and the other reported Cu-based mimics, the as-prepared CN-MOF-818 exhibits the higher oxidase mimetic activities. These CN-MOF-818 can also be employed to detect the epinephrine with a low detection limit of 1.63 μM.

Tetranuclear NiII-Mannich base complex with oxygenase, water splitting and ferromagnetic and antiferromagnetic coupling properties.

A new Mannich base (2-(4-(2-hydroxy-3-methoxy-5-methylbenzyl)-piperazin-1-yl)methyl)-6-methoxy-4-ethylphenol (H2L) and its tetranuclear NiII complex [Ni4L2(μ1,1-Cl)2(H2O)4]Cl2 (compound 1) are characterised using single-crystal X-ray diffraction measurements. Compound 1 contains four different NiII centres in a rhombus-like structure. Two Ni atoms (Ni1 and Ni2) have a NiN2O4 coordination sphere, while the other two (Ni3 and Ni4) have a NiO4Cl2 coordination environment and Ni-Cl-Ni bridges connect them. Ni1 and Ni2 are linked to Ni3 and Ni4 by phenoxide bridges. Variable temperature magnetic susceptibility measurements of 1 indicate the presence of alternating antiferromagnetic coupling (J1 = -6.6(1) cm-1) through the phenoxide bridge along the sides of the rhombus and ferromagnetic coupling (J2 = 8.4(1) cm-1) through the double Cl bridge along the short diagonal of the rhombus with a zero-field splitting of |D| = 2.7(1) cm-1. Compound 1 shows oxidase (catecholase-like and phenoxazinone synthase-like) activity. The oxidation of 3,5-di-tert-butylcatechol (3,5-DTBC) gives 3,5-di-tert-butylquinone (3,5-DTBQ) and H2O2 and the oxidation of o-aminophenol (OAP) produces 2-aminophenoxazin-3-one (APX) and H2O with turnover numbers of 28.32 and 17.52 h-1, respectively, under aerobic conditions. A mechanism for the oxidase activity catalysed by compound 1 is proposed in line with ESI-mass spectrometry, EPR spectroscopy, and electrochemical data. The reaction involves the cleavage of the tetranuclear Ni4-core to form a mononuclear NiII complex in the presence of the substrate (3,5-DTBC/OAP). This NiII complex is reduced to NiI with the concomitant oxidation of the substrate (3,5-DTBQ/APX). Formation of a radical intermediate is confirmed using EPR. In the catecholase-like activity, O2 is reduced to H2O2 while in the phenoxazinone synthase-like activity O2 produces H2O. Compound 1 participated in oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) in a strongly basic medium with an onset potential of 418 mV and a Tafel slope of 121 mV dec-1 for OER and an onset potential of 477 mV and Tafel slope of 146 mV dec-1 for HER.

Weakly antiferromagnetic vanillin and acetate bridged dinuclear Ni(ii) compound exhibiting catecholase-like activity and biological properties

A dinuclear Ni(ii) compound, [Ni2(μ-van)2(μ-OAc)(NCS)3(H2O)]·5H2O 1 with p-vanillin and acetato bridging ligands have been structurally characterized and tested for catecholase-like and biological activities.

Smartphone-assisted nanozyme sensor array constructed based on reaction kinetics for the discrimination and identification of phenolic compounds

Although the research on nanozymes has attracted widespread attention in recent years, the development of highly active and multifunctional nanozymes remains a challenge. Here, a bifunctional AMP-Cu nanozyme with laccase- and catecholase-like activities was successfully prepared at room temperature with Cu2+ as the metal ion and adenosine-5′-monophosphate (AMP) as the ligand molecule.Based on the excellent catalytic performance of AMP-Cu, a three-channel colorimetric sensor array was constructed using reaction kinetics as the sensing unit to achieve high-throughput detection and identification of six common phenolic compounds at low concentrations. This strategy simplifies the construction of sensor array and demonstrates the capacity to obtain multidimensional data from a single material. Finally, with the assistance of smartphones and homemade dark boxes, a portable on-site detection method for phenolic compounds was developed. This work would contribute to the development of portable sensors and the highly efficient identification of phenolic compounds in complex samples.

Ratio-Metric Fluorescence/Colorimetric and Smartphone-Assisted Visualization for the Detection of Dopamine Based on Cu-MOF with Catecholase-like Activity

As the most abundant catecholamine neurotransmitter in the brain, dopamine plays an important role in the normal physiological process, and its level in urine also changes during human pathological processes. In clinic, the detection of dopamine in urine is a potential marker for the diagnosis and the treatment of endocrine-related diseases. In this work, a copper metal organic framework with catecholase-like activity was prepared via the precipitation of Cu2+ and imidazole, simulating the N-Cu coordination environment in the active site of catecholase. Cu-MOF (the copper–metal organic framework) can catalyze the oxidation of DA (dopamine) to dopaquinone using O2 in the air. The oxidation product can further react with 1,3-dihydroxynaphthalene to produce a fluorophore product. Based on the above reaction, a multimodal sensing platform with three signal outputs, including ratio-metric fluorescence, absorbance and digital information extracted from smartphone images for simple and sensitive determination of DA, was proposed, with detection limits of 0.0679, 0.3206, and 0.3718 μM, respectively. This multimodal sensing platform was able to detect DA in body fluid in a self-correcting way, as demonstrated by the successful determination of DA in normal human urine samples, and samples with a high level of interference.

Trinuclear heterometallic CuII–MII (M = Mn and Co) complexes of N,O donor ligands with o-nitro benzoate anion: Structures, magnetic properties and catalytic oxidase activities

Three new heterometallic complexes [(CuL1)2Mn(o-(NO2)C6H4CO2)2] (1), and{[(CuL2)2Mn(o-(NO2)C6H4CO2)2]·2CH3CN} (2) and {[(CuL2)2Co(o-(NO2)C6H4CO2)2]·2H2O} (3) have been synthesized using [CuL1]/[CuL2] as metalloligands (where H2L1 = N,N′-bis(2-hydroxynaphthyl-methylidene)-1,3-propanediamine, H2L2 = N,Ń-bis(methyl2-hydroxynaphthyl-methylidene)-1,3-propanediamine). Structural characterization of complexes (1–3) show that contains linear trinuclear architecture, where the terminal [CuL1]/[CuL2] units are coordinated to the central MnII (for 1 and 2)/CoII (for 3) through double phenoxido bridge along with a syn-syn bridging carboxylate anion. Complexes 1 and 2 exhibit biomimetic catecholase-like activity with the turn over numbers (kcat) of 164 and 140 h−1, respectively. The mass spectral study suggest the most probable mechanism of this biomimetic oxidase reaction whereas, cyclic voltammetry measurements indicate that CuII is reducible to CuI during catalysis. Variable temperature (2–300 K) magnetic susceptibility measurements reveal that all complexes (1–3) possess an overall antiferromagnetic coupling between CuII and the hetero metal ions with J values of –7.027(2), –7.076(1) and –2.2(1) cm−1, respectively.

Unprecedented pseudo-zeroth-order kinetics of the catecholase-like activity of mixed-valence MnIIMn2III complexes

The pseudo-zero-order kinetics of the catecholase-like activity of biologically active linear trinuclear mixed-valence manganese complexes have been explored; the formation of singlet oxygen is thought to be the rate-limiting step.

A zinc(II) metal–organic complex based on 2-(2-aminophenyl)-1H-benzimidazole ligand: Exhibiting high adsorption capacity for aromatic hazardous dyes and catecholase mimicking activity

A dual functional metal–organic complex (MOC) {[Zn(L1)(Cl)2]·DMF} (1), ( L1 = 2-(2-aminophenylbenzimidazole) was synthesized by a solvothermal method and characterized by various analytical techniques. Crystals of 1 were harvested by a solvent evaporation method, and single-crystal X-ray diffraction (SCXRD) analysis revealed that 1 adopted a distorted tetrahedral geometry around the central metal ion. The topological simplification of 1 ascertained the simple hcb net. The bulk-phase purity of as-synthesized 1 was confirmed by the decent match of powder X-ray diffraction (PXRD) patterns with the simulated patterns. The band gap and chemical reactivity potential of 1 were confirmed by HOMO-LUMO analysis. Complex 1 showed the efficient adsorption of cationic methylene blue (MB) and anionic methyl orange (MO) dyes from wastewater with good uptake. At room temperature and at neutral pH, complex 1 exhibited the highest removal efficiencies (90% and 80%) and adsorption capacities (qe = 116.22 mg/g and 102.62 mg/g) for MB and MO dyes, respectively. The plausible mechanism of cationic and anionic dyes removal is based on insight from structural information and existance of array of non-covalent interactions in complex 1. Additionally, complex 1 was also evaluated for catecholase-like activity in ethanol for the oxidation of 3,5-DTBC to 3,5-DTBQ. Complex 1 showed good catecholase-like activity with potential catechol conversion results, kcat = 0.98⨯102 h−1, KM = 0.0506 M, and Vmax = 0.0485⨯10-3 M min−1.

Catalase and catecholase-like activities of manganese and copper complexes supported by pentadentate polypyridyl ligands in aqueous solution

Novel manganese(II) complex, [MnII(2PyN2Q*)(OTf)]OTf (1) with racemic pentadentate polypyridyl ligand (2PyN2Q* = N,N-bis(2-quinolylmethyl)-1,2-di(2-pyridyl)ethylamine; OTf = CF3SO3) was synthesized and characterized by IR, UV-Vis, ESI-MS and X-ray measurements. The formation of its high-valent species, [MnIV(2PyN2Q*)(O)](OTf)2 was confirmed by UV-Vis measurements. Catalytic activities of compound 1 for the disproportionation of H2O2 as catalase mimics, and for the oxidation of catechol derivatives as catecholase mimics were investigated in buffered aqueous solution compared to our previously published [CuII(N4Py*)(CH3CN)](OTf)2 (2) (N4Py* = N,N-bis(2-pyridylmethyl)-1,2-di(2-pyridyl)ethylamine), [MnII(N4Py*)(OTf)]OTf (3) and [FeII(N4Py*)(CH3CN)](CO4)2 (4) complexes. Based on preliminary reaction kinetic measurements, an opposite order (trend) of reactivity was observed for the two systems: 4 (KM = 1.39 M) > 3 (1.26 M) > 1 (0.91 M) > 2 (0.31 M) for the catalase-like, and 1 ≈ 2 > 3 > 4 for the catecholase-like activity of the complexes.

Construction of biomimetic nanozyme with high laccase- and catecholase-like activity for oxidation and detection of phenolic compounds

Despite the rapid development of nanozyme, it is still challenging to develop multifunctional nanozyme with high oxidase-like activity. In this work, a novel type of amorphous imidazole-Cu nanozyme (I-Cu) with high laccase- and catecholase-like activity was prepared by the water induced precipitation of Cu2+ and imidazole to mimick the N-Cu coordinated environment in their active site. I-Cu shows similar Km but 3.7-fold higher Vmax than laccase at the same mass concentration. The possible catalytic mechanism of I-Cu nanozyme, which is composed of substrate binding, substrate oxidation, oxygen binding and oxygen reduction, is proposed. In addition, it also displays high stability under various pH, temperature, long-term storage and high salinity. The oxidation efficiency of I-Cu nanozyme for environmental phenolic pollutants (2,4-dichlorophenol) is 91.8% at 10 h, which is higher than that of laccase (68.8% at 10 h). Furthermore, the colorimetric and smart phone detection of dopamine by I-Cu nanozyme is developed with the detection limit of 0.412 μM. Therefore, we expect this amorphous nanozyme is promising in the various application of bioremediation and biosensor.

Preparation of amorphous MOF based biomimetic nanozyme with high laccase- and catecholase-like activity for the degradation and detection of phenolic compounds

In spite of the rapid development of nanozyme, it is still challenging to develop multifunctional nanozyme with high oxidase-like activity. In this work, a novel type of amorphous MOF based nanozyme (CA-Cu) with both laccase- and catecholase-like activity was prepared by the facile solvothermal reaction of cyanuric acid and Cu2+ to mimick the N-Cu coordinated environment between the imidazole and Cu2+ in their active site. Due to the excellent activity, substrate universality, recyclability and stability of CA-Cu nanozyme, it shows broad application prospects in degradation and detection of phenolic compounds. Besides, the structure–activity relationship between N-Cu coordinated environment and laccase/catecholase-like activity has been further proved.

Pentanuclear MII–MnII (M = Ni and Cu) complexes of N2O2 donor ligands with a variation of carboxylate anions: syntheses, structures, magnetic properties and catecholase-like activities

One NiII2MnII3 and two CuII2MnII3 complexes have been synthesized using N2O2 donor ligands. The former complex exhibits spin crossover at 2 K temperature. All the complexes exhibit catecholase-like activities.

Catecholase-like activity in 2D MOFs: Oxidation of 3,5-DTBC by two Cu(II) 2D MOFs of reduced Schiff base ligands

Two-dimensional metal-organic frameworks (2D MOFs) materials have been explored extensively for their interesting properties and applications, but not so much for Catecholase-like catalytic activity. We describe here two Cu(II) 2D MOFs of reduced Schiff base ligands for their Catecholase-like activity. These were synthesized and characterized by spectroscopic analyses. The solid state structure of [Cu2(NglyR)2] (where NglyR is a reduced Shiff base ligand derived from 2-hydroxy-1-naphthaldehyde and glycine) (1) consistes of two Cu(II) atoms bridged by two phenalato groups and further chelated by oxygen and nitrogen atoms of the glycine part of NglyR ligand. These dimers are further linked by the terminal carboxylato oxygen atoms to possess a 2D sheet structure. In the absence of solid-state structure of [Cu2(NSchR)2] (2) (where NSchR is a reduced Schiff base ligand derived from 2-hydroxy-1-naphthaldehyde and 1-amino-1-cyclohexanecarboxylic acid), the dinuclear core with bridging phenolate ligands has been proposed from physicochemical and spectroscopic methods. The MOFs have also been investigated for their catecholase-like activities with 3,5-di-tert-butylcatechol (3,5-DTBC). Hyperbolic inhibition was observed for 1 in the following solvent systems: MeOH, MeOH:DMF (95:5, v/v) and (90:10, v/v), but not for 2. Moreover, catalytic activities are found to be heavily influenced by v/v ratio of the mixed solvent systems and solvent nucleophilicity.

Effect of structural variation on enzymatic activity in tetranuclear (Cu4) clusters with defective cubane core

The stimulus to the modeling of enzyme functioning sites comes from their potential to give insight into the natural enzyme’s mechanistic pathways, ascertain the role of that different metal ion in the active site and construct better catalysts motivated by nature. The presence of metal ion leads to the activation of molecular oxygen in the metalloenzymes. The metalloenzymes such as the catechol oxidase (CO) enzyme that oxidizes the catechol to corresponding quinones which eventually protect damage tissues from plant and pathogen. Thus, the design and characterization of catalysts used as selectively and efficiently oxidation reactions have grown to be unique challenges for modern inorganic chemists. In this work, two novel tetranuclear complexes (1 and 2) have been synthesized in excellent yield. The complexes were characterized using various spectroscopic techniques such as FTIR, UV–Visible and PXRD pattern. The structure of 1 and 2 was elucidated by SC-XRD (single crystal X-ray diffraction) analysis. The magnetic study reveals the presence of the antiferromagnetic nature of 1 and 2. Both 1 and 2 shows a very good catecholase-like activity by oxidizing the catechol to analogous quinone in methanolic solution. Thus, a structure-activity relationship can further help us design other substituted tetranuclear complexes with enhanced catecholase like activity. Communicated by Ramaswamy H. Sarma

Catecholase-Like Activity and Theoretical Study in Solid State of a New Ru(III)-Schiff Base Complex

A new ruthenium(III) complex of molecular formula [Ru(PPh3)Cl2(L)] (1) has been synthesized using the Schiff base ligand obtained from 5-chlorosalicylaldehyde and N,N-dimethylethylenediamine, and characterized by FT-IR, UV-Vis, cyclic voltammetry and single crystal X-ray structural analysis. The metal ion exhibits a slightly distorted octahedral environment where the chelating Schiff base ligand contributes with its NNO donor set. The coordination geometry around the Ru(III) ion is completed by a PPh3 ligand and two chloride anions, and the charge balance is assured by the phenoxo oxygen of the Schiff base. With the aim to analyse the energy related to the halogen bonding interactions in solid state, a theoretical study has been performed on complex 1, by using the MEP and NCI plot computational tools, was also performed with the aim to analyse the energy related to the halogen bonding interaction. Furthermore, complex 1 shows catecholase-like activity in conversion of the model substrate 3,5-di-tert-butylcatechol (3,5-DTBC) to the corresponding 3,5-di-tert-butylquinone (3,5-DTBQ) under aerobic condition. The parameters regarding the enzymatic kinetics have been evaluated from the Lineweaver-Burk plot using the Michaelis-Menten approach of enzyme catalysis. A significant high T.O.N value (2.346×103 h-1) indicates that complex 1 has a very good catalytic efficiency towards 3,5-DTBC.