Binuclear Copper Complexes Research Articles

The first type of binuclear copper complex with terminal sulfide: synthesis, structural characterization, and cytotoxicity evaluation

A novel copper complex of [CuII (μ2–S)(terminal-S)(2-acetylpyrdine oxime)2 (1) is synthesized and characterized by X-ray single-crystal diffraction. The free ligand of 2-acetylpyrdine oxime is an unexpected product obtained from a condensation reaction of p-aminobenzene sulfonamide and 2-acetylpyridine and is characterized by IR, 1HNMR, and 13CNMR spectroscopic methods. X-ray crystallography showed strictly planar bridged μ2- Cu2(S)2 core, and each copper(II) center exhibits distorted square pyramidal coordination geometry. The cytotoxicity of the complex was tested in vitro against esophageal cancer (SKGT-4) cell lines by metabolic tests, using 3-(4, 5-dimethylthiazol-2-yl)-2,5-diphenyl-tetrazolium bromide as a reagent. Complex 1 showed a remarkable inhibition response in SKGT-4 cell lines.

A novel copper(II) complex with a salicylidene carbohydrazide ligand that promotes oxidative stress and apoptosis in triple negative breast cancer cells.

We report the synthesis, characterization, anti-cancer activity and mechanism of action of a novel water-soluble Cu(II) complex with salicylidene carbohydrazide as the ligand and o-phenanthroline as the co-ligand. The synthesized complex (1) was characterized by FT-IR, EPR, and electronic spectroscopy, as well as single crystal X-ray diffraction. This compound was found to be paramagnetic from EPR spectra and X-ray crystallography revealed that the molecule crystallized in an orthorhombic crystal system. The crystal lattice was asymmetric containing two distinct binuclear copper complexes containing the Schiff base as the major ligand, o-phenanthroline as a co-ligand, two nitrate anions, and two water molecules. The Cu(II) in the first site coordinated with the enolised ligand comprising enolate O-, phenolate O-, and the imine N and N,N from o-phen. The major part of this complex exists as Cu(II) coordinated with two H2O molecules at the second site with nitrate acting as the counter anion. However, a smaller portion of the complex exists where Cu(II) is coordinated with NO3- and H2O, and the remaining water molecule acts as lattice water. It was tested for DNA binding and cleavage properties which revealed that it binds in an intercalative mode to CT-DNA with Kb value of 1.25 × 104 M-1. Furthermore, cleavage studies reveal that the complex has potential for efficient DNA cleavage under both oxidative and hydrolytic conditions. It was able to enhance the rate of cleavage by 2.8 × 108 times. The complex shows good cytotoxicity to breast cancer monolayer (2D) as well as spheroid (3D) systems. The IC50 values for MDA-MB-231 and MCF-7 monolayer culture was calculated as 1.86 ± 0.17 μM and 2.22 ± 0.08 μM, respectively, and in (3D) spheroids of MDA-MB-231 cells, the IC50 value was calculated to be 1.51 ± 0.29 μM. It was observed that the complex outperformed cisplatin in both breast cancer cell lines. The cells treated with complex 1 underwent severe DNA damage, increased oxidative stress and cell cycle arrest which finally led to programmed cell death or apoptosis in triple negative breast cancer cells through an intrinsic pathway.

Synthesis, characterization, antimicrobial, anticancer and the theoretical calculation of a novel N, O-multidentate chelating ligand and its Cu(II) and Fe(III) complexes

A new group of Cu(II) and Fe(III) complexes has been produced utilizing the ligand (Z)-N′-(1-(thiophen-2-yl)ethylidene)-2-(p-tolylamino)acetohydrazide (H2L). The chemical structure of new compounds has been established using FT-IR, 1H NMR, electronic spectra, powder X-ray diffraction, and thermal behavior. The Gaussian 09 program used the Density Functional Theory (DFT) approach to optimize the geometry of all synthesized compounds to acquire the best possible structures and significant parameters. The examination of biological aspects included the study of microbial and breast cancer cell lines. It was found that both the ligand and the complexes exhibited strong antibacterial activity against the studied bacterial species. The complexes worked as strong antifungal agents filamentous fungi like Candida albicans. The H2L ligand and its Cu(II) complexes (M1 and M2) were more effective against Candida albicans than Fe(III) complex, which showed no activity against Aspergillus niger. Both mononuclear and binuclear copper (II) complexes expanded their antifungal capabilities to target Aspergillus niger, surpassing the effectiveness of the standard drug. Amphotericin was used as a reference. Following testing against the MCF-7 breast cancer cell line, the reactivity of all compounds was investigated. All complexes showed an intriguingly powerful antiproliferative potential. The compounds’ activities were organized like this: Cu(II) Complexes (M2, M1) > Fe(III) Complex (M3) > H2L Ligand. Molecular docking simulation identified the active amino acids relevant to microbial and breast cancer studies.

Integrated Design of Homogeneous/Heterogeneous Copper Complex Catalysts to Enable Synergistic Effects on Sulfur and Lithium Evolution Reactions.

Fatal polysulfide shuttling, sluggish sulfur redox kinetics and detrimental lithium dendrites have curtailed the real discharge capacity, working lifespan and safety of lithium-sulfur (Li-S) batteries. Organic small molecule promotors as one type of emerging active catalysts can fulfil the management of the electrochemical species evolution behaviors. Herein, an integrated engineering is organized by synthesizing dual chlorine-bridge enabled binuclear copper complex (Cu2(phen)2Cl2) and its derivative generated in electrolyte (Cu-ETL) as the heterogeneous and homogeneous catalyst, respectively. The well-designed Cu-ETL with a optimized concentration of 0.25 wt.% as a homogeneous enabler offers highly utilized Cu centers and the sufficient interface contact for guiding the Li2S nucleation/decomposition reactions. The Cu2(phen)2Cl2 loaded on carbon spheres as an interlayer (Cu-INT) can break through the catalytic limitation resulting from the saturated concentration of Cu-ETL and thus offers an extended manipulation effect. Benefiting from the synergistic effect, the Li-S battery shows stable cycling at 3 C upon 500 cycles with a capacity degradation rate as low as 0.029% per cycle. Of specific note, an actual cell energy density of 372.1 Wh kg-1 is harvested by a 1.2 Ah-level soft-packaged pouch cell, implying a chance for requiring the demand of high-energy batteries.

Integrated Design of Homogeneous/Heterogeneous Copper Complex Catalysts to Enable Synergistic Effects on Sulfur and Lithium Evolution Reactions

Fatal polysulfide shuttling, sluggish sulfur redox kinetics and detrimental lithium dendrites have curtailed the real discharge capacity, working lifespan and safety of lithium–sulfur (Li–S) batteries. Organic small molecule promotors as one type of emerging active catalysts can fulfil the management of the electrochemical species evolution behaviors. Herein, an integrated engineering is organized by synthesizing dual chlorine‐bridge enabled binuclear copper complex (Cu2(phen)2Cl2) and its derivative generated in electrolyte (Cu‐ETL) as the heterogeneous and homogeneous catalyst, respectively. The well‐designed Cu‐ETL with a optimized concentration of 0.25 wt.% as a homogeneous enabler offers highly utilized Cu centers and the sufficient interface contact for guiding the Li2S nucleation/decomposition reactions. The Cu2(phen)2Cl2 loaded on carbon spheres as an interlayer (Cu‐INT) can break through the catalytic limitation resulting from the saturated concentration of Cu‐ETL and thus offers an extended manipulation effect. Benefiting from the synergistic effect, the Li–S battery shows stable cycling at 3 C upon 500 cycles with a capacity degradation rate as low as 0.029% per cycle. Of specific note, an actual cell energy density of 372.1 Wh kg−1 is harvested by a 1.2 Ah‐level soft‐packaged pouch cell, implying a chance for requiring the demand of high‐energy batteries.

Hydroxylation of Phenol by an Azomethine Quinoxaline Schiff Base Copper (II) Complex

Introduction: A binuclear azomethine quinoxaline Schiff base copper (II) complex, [Cu2LCl2], having square-planar environment around each copper (II), has been synthesized. Method: The coordination of the azomethine quinoxaline Schiff base with copper (II) and its structure was studied by various physicochemical and spectroscopic measurements. Results: Catalytic activity of this complex in phenol hydroxylation reaction has been examined using H2O2 as a green oxidant. Conclusion: Catalytic reaction conditions were optimized and under these conditions, 18.32 % conversion of phenol has been obtained for this catalyst

In Vitro Interaction of Binuclear Copper Complexes with Liver Drug-Metabolizing Cytochromes P450.

Two copper(II) mixed ligand complexes with dicarboxylate bridges were prepared and studied, namely [Cu2(μ-fu)(pmdien)2(H2O)2](ClO4)2 (complex No. 5) and [Cu2(μ-dtdp)(pmdien)2(H2O)2](ClO4)2 (complex No. 6), where H2fu = fumaric acid, pmdien = N,N,N',N″,N″ pentamethyldiethylenetriamine, and H2dtdp = 3,3'-dithiodipropionic acid. The copper atoms are coordinated in the same mode by the tridentate pmdien ligand and oxygen of water molecules, and they only differ in the dicarboxylate bridge. This work is focused on the study of the inhibitory effect of these potential antimicrobial drugs on the activity of the most important human liver drug-metabolizing enzymes, cytochromes P450 (CYP), especially their forms CYP2C8, CYP2C19, and CYP3A4. The obtained results allow us to estimate the probability of potential drug interactions with simultaneously administrated drugs that are metabolized by these CYP enzymes. In conclusion, the presence of adverse effects due to drug-drug interactions with concomitantly used drugs cannot be excluded, and hence, topical application may be recommended as a relatively safe approach.

Synthesis, crystal structure, magnetic behaviour and thermal stability of a paddle-wheel copper(II) complex bearing equatorial 3,4-diethoxybenzoate ligands.

The binuclear paddle-wheel copper(II) complex tetrakis(μ-3,4-diethoxybenzoato-κ2O:O')bis[(ethanol-κO)copper(II)], [Cu2(C11H13O4)4(C2H6O)2], has been synthesized and characterized. In each molecule, two CuII centres are bridged in a syn-syn fashion by four equatorial 3,4-diethoxybenzoate ligands, the two axial positions being occupied by ethanol molecules. The thermal stability has been studied by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) techniques. The magnetic behaviour, studied by SQUID magnetometry, shows a CuII-CuII antiferromagnetic exchange interaction with 2J= -288 cm-1, a value that fits with a magnetic structure correlation established for compounds of this kind.

Structural, spectroscopic, fluorescent, and computational studies of binuclear copper (II) and zinc (II) complexes with an asymmetric salamo‐type ligand

Salamo‐type ligand H2L was designed and synthesized and reacted with Cu (II) and Zn (II) acetate, respectively, to obtain two binuclear Cu (II) and Zn (II) complexes: [Cu2(L)2]·2CH3OH (1) and [Zn2(L)2] (2) having the same coordination number but distinct geometries. Complex 1 is a Cu (II) complex containing two crystalline ethanol molecules, where two Cu (II) atoms are surrounded by two utterly deprotonated (L)2− parts, forming slightly twisted tetragonal pyramidal configurations of pentacoordinate. In complex 2, two utterly deprotonated (L)2− parts surround two Zn (II) atoms, forming pentadentate twisted triangular bipyramidal configurations. The complexes were elucidated via IR analyses and ultraviolet spectroscopy. Using DFT theoretical calculation, MEPs, IRI, and Hirshfeld surface analysis to investigate further the molecular interactions and reaction sites. Ultimately, the fluorescence characteristics of H2L and its complexes 1 and 2 were discussed.

An Electrolyte Engineered Homonuclear Copper Complex as Homogeneous Catalyst for Lithium-Sulfur Batteries.

Lithium-sulfur (Li-S) batteries suffer from severe polysulfide shuttle, retarded sulfur conversion kinetics and notorious lithium dendrites, which has curtailed the discharge capacity, cycling lifespan and safety. Engineered catalysts act as a feasible strategy to synchronously manipulate the evolution behaviors of sulfur and lithium species. Herein, a chlorine bridge-enabled binuclear copper complex (Cu-2-T) is in situ synthesized in electrolyte as homogeneous catalyst for rationalizing the Li-S redox reactions. The well-designed Cu-2-T provides completely active sites and sufficient contact for homogeneously guiding the Li2S nucleation/decomposition reactions, and stabilizing the lithium working interface according to the synchrotron radiation X-ray 3D nano-computed tomography, small angle neutron scattering and COMSOL results. Moreover, Cu-2-T with the content of 0.25wt% approaching saturated concentration in electrolyte further boosts the homogeneous optimization function in really operated Li-S batteries. Accordingly, the capacity retention of the Li-S battery is elevated from 51.4% to 86.3% at 0.2 C, and reaches 77.0% at 1.0 C over 400 cycles. Furthermore, the sulfur cathode with the assistance of Cu-2-T realizes the stable cycling under the practical scenarios of soft-packaged pouch cell and high sulfur loading (6.5mg cm-2 with the electrolyte usage of 4.5µL mgS -1).

Micelle-modulated ribonuclease-like activities of oxo-bridged binuclear copper(ii) complexes with novel imidazole derivatives

Three bis-tridentate imidazole derivatives as ligands and their alkoxo-bridged binuclear copper(II) complexes (1, 2 and 3) were synthesized and characterized. Single crystals show that furan or thiophene moiety of 2 or 3 is free without a coordination with the central copper. Five-coordinated structure of 1 is constructed via two Cu-N and three Cu-O coordination bonds involving the participation of phenolic oxygen, alkoxo-bridged oxygen and the one carboxylate oxygen. Furthermore, catalytic reactivity of the as-synthesized binuclear complexes was evaluated for the transesterification of classic RNA model HPNP (2-hydroxypropyl-4-nitrophenyl phosphate). Overall, three complexes displayed the almost similar activity in both non-micellar and micellar solutions. HPNP transesterification achieved more obvious acceleration in micellar solutions of three kinds of cationic surfactants. All of three complexes obtained relatively good reactivity in CTAB micellar solution, respectively achieving approximately 804-fold (for 1), 762-fold (for 2) and 785-fold (for 3) rate enhancement compared to background rate of HPNP spontaneous cleavage. The as-synthesized binuclear complexes displayed approximately two times dominative activity in CTAB micellar solution over that in the non-micellar system. However, to some extent the introduction of amphoteric n-lauroylsarcosine sodium (LSS) and non-ionic polyoxyethylene lauryl ether (Brij35) inhibited the catalytic transesterification of HPNP. This study is beneficial to the design and application of novel mimic esterolases.

Novel binuclear copper(II) complexes with sulfanylpyrazole ligands: synthesis, crystal structure, fungicidal, cytostatic, and cytotoxic activity.

New binuclear copper(II) [Cu(II)] tetraligand complexes (six examples) with sulfanylpyrazole ligands were synthesized. Electron spin resonance (ESR) studies have shown that in solution the complexes are transformed to the mononuclear one. Fungicidal properties against Candida albicans were found for the Cu complexes with benzyl and phenyl substituents. An in vitro evaluation of the cytotoxic properties of Cu chelates against HEK293, Jurkat, MCF-7, and THP-1 cells identified the Cu complex with the cyclohexylsulfanyl substituent in the pyrazole core as the lead compound, whereas the Cu complex without a sulfur atom in the pyrazole ligand had virtually no cytotoxic or fungicidal activity. The lead Cu(II) complex was more active than cisplatin. Effect of the S-containing Cu complex on apoptosis and cell cycle distribution has been investigated as well.

Synthesis, structural characterization and biological applications of mono- and binuclear Cu(II) and Ni(II) complexes with N2O2 Schiff bases

The present work aims to synthesize and characterize new Schiff base metal complexes (Cu(II) and Ni(II)) derived from 4,5-Dichloro-o-phenylenediamine and 3,5-Dichloro-2-hydroxyacetophenone. The synthesized Schiff base and their complexes have been characterized with the support of more than a few standard physicochemical techniques such as elemental analysis, spectroscopic, thermal, and cyclic voltammetry studies. Further the molecular structures are ascertained by computational methods like density functional theory (DFT) methods. The newly synthesized Schiff base ligand acts as ONNO donor tetradentate chelate and coordinated through an azomethine nitrogen and phenoxo oxygen atom to the Cu(II) and Ni(II). Moreover, all the newly prepared compounds exhibit moderate biological activity such as antibacterial. The synthesized compounds were screened for their antibacterial by the disc agar diffusion method. Spectral analysis exhibits square planar geometry for Cu(II) & Ni(II) mono and binuclear complexes. The antimicrobial results indicate that the homo binuclear copper (II) complex was more active than the other mono and binuclear complexes. The theoretical DFT calculations were applied to verify the molecular geometry of chelators and their complexes. The DFT optimized geometries of the complexes are in agreement with experimental observations.

A novel L-Cysteine voltammetric sensor based on a dual-nucleation copper (II) complex

A novel platform of simple and cost-effective carbon paste electrode (CPE)-modified with a binuclear copper (II)-8-hydroxyquinoline complex was used for catalytic electroxidation of L-Cysteine. The modified electrode described was observed to significantly reduce the electrooxidation potential of L-Cysteine. Electrochemical impedance spectroscopy confirmed a significant decrease in the charge transfer resistance at the electrode surface by introducing the binuclear copper complex in the CPE. It was proposed that the two molecules of cysteine, adsorbed to the modified electrode surface, are oxidized to a cystine molecule via copper (II) centers of the complex which are consequently reduced to copper (I) species, responsible for the voltammetric peak observed when the potential was scanned toward the positive direction. To improve the electrode signal for cysteine, the electrode composition was also optimized. Two electrochemical techniques of cyclic voltammetry and amperometry were applied for the establishment of the calibration curve for cysteine determination by this electrode. The linear ranges of the calibration curves are obtained utilizing two electrochemical techniques of cyclic voltammetry and amperometry were 286–5000 μM and 11.6–500 μM, respectively. Also, the detection limits of cysteine assay by the above-cited techniques were calculated and equal to 86.7 μM and 3.5 μM, respectively. The electrode described was applied for cysteine determination in some vegetable samples which showed satisfactory results. Also, the selectivity of the sensor was checked against some biomolecules and amino acids such as Glycine, Alanine, Arginine, Methionine, Glucose, Urea, BrO3- and Citric acid. The introduced sensor exhibited excellent selectivity for cysteine determination in food samples.

Binuclear copper complex as a new dual‐use catalyst for cycloaddition and coupling reactions: Synthesis, characterization, and application

Binuclear copper complex as a new dual‐use catalyst for cycloaddition and coupling reactions: Synthesis, characterization, and application

Chlorine bridge bond-enabled binuclear copper complex for electrocatalyzing lithium–sulfur reactions

Engineering atom-scale sites are crucial to the mitigation of polysulfide shuttle, promotion of sulfur redox, and regulation of lithium deposition in lithium–sulfur batteries. Herein, a homonuclear copper dual-atom catalyst with a proximal distance of 3.5 Å is developed for lithium–sulfur batteries, wherein two adjacent copper atoms are linked by a pair of symmetrical chlorine bridge bonds. Benefiting from the proximal copper atoms and their unique coordination, the copper dual-atom catalyst with the increased active interface concentration synchronously guide the evolutions of sulfur and lithium species. Such a delicate design breaks through the activity limitation of mononuclear metal center and represents a catalyst concept for lithium–sulfur battery realm. Therefore, a remarkable areal capacity of 7.8 mA h cm−2 is achieved under the scenario of sulfur content of 60 wt.%, mass loading of 7.7 mg cm−2 and electrolyte dosage of 4.8 μL mg−1.

Synthesis, characterization and biological applications of a new nano-sized binuclear copper(II) complex containing bathophenanthroline and ellagic acid as ligands

A new binuclear copper(II) complex, nano-[Cu2-(DIP)2-EA], was synthesized by using bathophenanthroline and ellagic acid ligands in a multi-component/one-pot method, and then characterized by electrospray ionization mass spectrometry (ESI-MS), Fourier transform infrared spectroscopy (FT-IR), ultraviolet-visible spectrophotometry (UV–vis), thermogravimetric analysis (TGA), and field emission scanning electron microscopy (FE-SEM). The antioxidant, antibacterial, and anticancer properties of the synthesized nano-[Cu2-(DIP)2-EA] were studied. The DPPH radical test pointed out that the nano-[Cu2-(DIP)2-EA] enjoys a good potential (28.4 %) to scavenge free radicals and the bacteria culture indicated a moderate ability of the complex to prevent the growth and proliferation of gram-positive bacteria (Staphylococcus aureus ATCC 29,213) and gram-negative ones (Pseudomonas aeruginosa ATCC 27,853). The cell culture displayed a superior ability of nano-[Cu2-(DIP)2-EA] to destroy breast cancer cells (MCF-7) compared to ellagic acid. In addition, the binding interaction of nano-[Cu2-(DIP)2-EA] with ct-DNA was studied in vitro (pH 7.40) by ultraviolet-visible absorption spectrophotometry, fluorescence emission spectrofluorimetry, circular dichroism (CD) spectropolarimetry, viscosity assessment technique, and molecular docking computer simulation. The results of the fluorescence enhancement spectra clearly showed a desirable affinity of nano-[Cu2-(DIP)2-EA] to ct-DNA. A hyperchromic effect was observed along with a slight red shift in the UV-visible spectra of nano-[Cu2-(DIP)2-EA]-DNA adduct, indicating that the nano-[Cu2-(DIP)2-EA] can form a conjugate with ct-DNA molecule. Thermodynamic properties exhibited an exothermic spontaneous formation of nano-[Cu2-(DIP)2-EA]-DNA adduct favored by H-bonds and van der Waals forces. The competitive emission investigations using methylene blue (MB) and Hoechst 33,258 demonstrated that the binuclear copper(II) can replace the DNA-bound Hoechst and interact via minor grooves, as confirmed also by negligible viscosity alterations. The CD observations proposed that the nano-[Cu2-(DIP)2-EA] induces conformational changes in the ct-DNA. Molecular docking modeling results recognized a minor groove mechanism of nano-[Cu2-(DIP)2-EA] to interact with ct-DNA, and the complexation process is supported by H-bonds and van der Waals interactions.

Improving sensitivity of XANES structural fit to the bridged metal-metal coordination.

Hard X-ray absorption spectroscopy is a valuable in situ probe for non-destructive diagnostics of metal sites. The low-energy interval of a spectrum (XANES) contains information about the metal oxidation state, ligand type, symmetry and distances in the first coordination shell but shows almost no dependency on the bridged metal-metal bond length. The higher-energy interval (EXAFS), on the contrary, is more sensitive to the coordination numbers and can decouple the contribution from distances in different coordination shells. Supervised machine-learning methods can combine information from different intervals of a spectrum; however, computational approaches for the near-edge region of the spectrum and higher energies are different. This work aims to keep all benefits of XANES and extend its sensitivity towards the interatomic distances in the first and second coordination shells. Using a binuclear bridged copper complex as a case study and cross-validation analysis as a quantitative tool it is shown that the first 170 eV above the edge are already sufficient to balance the contributions of Cu-O/N scattering and Cu-Cu scattering. As a more general outcome this work highlights the trivial but often overlooked importance of using `longer' energy intervals of XANES for structural refinement and machine-learning predictions. The first 200 eV above the absorption edge still do not require parametrization of Debye-Waller damping and can be calculated within full multiple scattering or finite difference approximations with only moderately increased computational costs.

Crystal structure of tetrakis(μ-2-hydroxy-3,5-diisopropylbenzoato)bis[(dimethyl sulfoxide)copper(II)

Metal complexes of 3,5-diisopropylsalicylate are reported to have anti-inflammatory and anti-convulsant activities. The title binuclear copper complex, [Cu2(C13H17O3)4(C2H6OS)2] or [Cu(II)2(3,5-DIPS)4(DMSO)2], contains two five-coordinate copper atoms that are bridged by four 3,5-diisopropylsalicylate ligands and capped by two axial dimethyl sulfoxide (DMSO) moieties. Each copper atom is attached to four oxygen atoms in an almost square-planar fashion, with the addition of a DMSO ligand in an apical position leading to a square-pyramidal arrangement. The hydroxy group of the diisopropylsalicylate ligands participates in intramolecular O—H...O hydrogen-bonding interactions.

Noble metal free double helix binuclear Cu(I) complex as catalyst for carboxylative cyclization of propargylamines with atmospheric carbon dioxide toward oxazolidinones synthesis under mild conditions

The application of economically abundant, renewable and C1-feedstock, carbon dioxide into organically important compounds is considered as the hot topic in modern aspects. In this prospective, a binuclear double helix copper (I) complex (1) was synthesized through insitu reaction between quinolone-2-carbaldehyde and succino-hydrazide with copper (II) nitrate hexahydrate. Single crystal X-ray analysis of complex 1, clearly explained that both tetra co-ordinated Cu(I) ions are in tetrahedral geometric environment, having suprmolecular network arrangement via weak interaction of H-bonding, π…π stacking and CH…π stacking. The complex 1 was found to be effectively active catalyst in carboxylative cyclization reaction of propargylic amines with carbon dioxide towards oxazolidinones synthesis under atmospheric pressure and mild reaction conditions. Due to the initiation of side reaction by –NH2 group of primary propargyliamines, which reduces the yield percentage of respective oxazolidinones as a result the carboxylative cyclization reaction of primary propargylic amines, was rarely developed. In this work both primary and secondary propargylamines smoothly undergoes through this catalytic reaction and produced high percentage of desired oxazolidinones product. Again neat condition for this catalytic reaction makes the methodology more environmentally benign and sustainable. The complex 1 showed luminescent property. Moreover DFT methods were utilized in order to explain the probable mechanistic pathway of carboxylative cyclization reaction.