Imidazolium Ionic Liquids Research Articles

Effects of new ionic liquids on mechanical properties and thermal conductivity of PC/ABS composites

According to the structural characteristics of PC/ABS containing benzene rings, an imidazole ionic liquid [MTMSiIM]H2PO2 was synthesized. [MTMSiIM]H2PO2 served as the modifier for modifying G powder via ball milling to produce ionic liquid functional graphene (Si-G). Si-G was utilized as a thermal conductive filler to investigate its impact on the mechanical properties and thermal conductivity network formation of PC/ABS composites. During the melt blending process, the imidazole group of Si-G and the benzene ring in PC/ABS form a π-π interaction. This interaction enhances the dispersion of Si-G in PC/ABS and strengthens the interface interaction between the two. As a result, it improves the mechanical properties and thermal conductivity of PC/ABS composites. Experimental results indicate that when 11 wt% of Si-G is added, the tensile strength of the composites is 63.05 MPa, marking a 9.4% and 4.5% increase compared to PC/ABS and G powder/PC/ABS, respectively. Furthermore, the flexural modulus of the 11 wt% Si-G/PC/ABS composites is 3495.37 MPa, showing a 65.5% and 5.7% improvement over PC/ABS and G powder/PC/ABS, respectively. Moreover, the 11 wt% Si-G/PC/ABS composites exhibit the highest thermal conductivity at 0.488 W·m−1 K−1, which is 103.7% and 10.4% higher than that of PC/ABS and G powder/PC/ABS, respectively.

The Interaction Between Fluorinated Additives and Imidazolyl Ionic Liquid Electrolytes in Lithium Metal Batteries: A First‐Principles Study

ABSTRACTThis investigation employs first‐principles calculations to explore the interaction between imidazolium ionic liquids (ILs) and fluoride additives on lithium metal surface. Our focus lies in the comprehensive analysis of three distinct categories of fluorinated additives, each differing in their degree of fluorination. The computations reveal that fluorination plays a significant role in determining both the ionic conductivity and the formation of the solid–electrolyte interphase (SEI) film. Specifically, heightened fluorination enhances the oxidative stability of the system but diminishes the strength of solvent binding, resulting in the formation of larger salt/anion clusters and a decrease in ionic conductivity. Conversely, increased fluorination facilitates the interaction between fluorinated additives and the lithium metal surface, thereby aiding in the formation of a stable SEI film characterized by an abundance of inorganic LiF components. This is important as it serves to suppress dendrite growth and mitigate interface side reactions. Considering the combined influences of ionic conductivity and film formation, 1FP is suggested as the optimal candidate for pyridine‐based additive systems, with FEC preferred for cyclic ester‐based additive systems and BC for chain ester‐based additive systems. This study provides theoretical references for the design of ionic liquid‐fluorinated additive electrolyte systems that can protect the lithium metal anode.

Impact of ethanol on the flotation efficiency of imidazolium ionic liquids as collectors: Insights from dynamic surface tension and solvation analysis

Impact of ethanol on the flotation efficiency of imidazolium ionic liquids as collectors: Insights from dynamic surface tension and solvation analysis

Preparation of phosphorous ionic liquids and its effect on the properties of ABS

AbstractTo improve the thermal conductivity and mechanical properties of graphene‐acrylonitrile butadiene‐styrene plastic (ABS) composite, sub‐phosphite‐based ionic liquid (IL) was synthesized, and its structure was characterized by FTIR, NMR, and mass spectrometry. IL was as a modifier, and graphite powder (G powder) was modified by the ball milling method to obtain functional graphene thermal conductive filler (G‐IL). The structure and morphology of G‐IL were characterized by FTIR, X‐ray photoelectron spectroscopy (XPS), XRD, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The results of the Molau test showed that the presence of IL improved the interfacial interaction of G‐IL and ABS, enhanced the dispersion of G‐IL in the ABS matrix, made G‐IL contact with each other, and it was easier to establish a thermal conduction network and promote phonon transfer. The thermal conductivity of 9 wt% G‐IL/ABS composite was 0.392 W·m−1·k−1, which was 96% and 14% higher than that of pure ABS and G/ABS composite, respectively. The tensile strength and bending modulus of 9 wt% G‐IL/ABS composite were 44.89 and 2124.37 MPa, which were 13% and 11% higher than those of pure ABS, respectively. The impact strength of 9 wt% G‐IL/ABS composite was 34.17 kJ/m2. It was 18% and 7% higher than that of pure ABS and 9 wt% G‐IL/ABS, respectively.Highlights Phosphorus imidazole ionic liquids were prepared. Graphene was modified by ionic liquids through non‐covalent. Enhanced mechanical properties and thermal conductivity of G‐IL/ABS composites.

B-containing ionic liquid modified SBA-15 for CO2-epoxide coupling reaction metal-free catalysis

A novel external-skeleton B-containing ionic liquid modified SBA-15 catalyst BBN-Imi-SBA-15-I (BBN denotes borabicyclo[3.3.1]nonane, Imi represents imidazolium ionic liquid) was successfully constructed by a post-modification method for efficiently catalyzing CO2-epoxide coupling reaction under both metal- and solvent-free conditions. 5BBN-Imi-SBA-15-I (5 refers to the molar ratio of Si to B), thanks to its synergistic effects of Lewis acid, weak base sites from tertiary amine and quaternary ammonium, hydrogen bond group and nucleophilic group, displayed good catalytic activity with 97 % product yield and 99 % selectivity at 100 °C, 2 MPa in the absence of cocatalyst. The obtained catalyst demonstrated good recyclability during six consecutive catalytic runs, also presented generality for various mono-substitute epoxides. Through in-situ NH3 diffuse reflectance infrared Fourier transform spectroscopy (NH3-DRIFTS) characterization, the Lewis acidity of organo-boron was verified. Besides, kinetics research also proved the positive effect of multiple active components on efficient catalysis under milder conditions over SiO2-based metal-free catalysts.

Ionogels in Aqueous Media: From Conductometric Probing of the Ionic Liquid Washout to the Design of More Stable Materials

Although the most promising applications of ionogels require their contact with aqueous media, few data are available on the stability of ionogels upon exposure to water. In this paper, a simple, easy-to-setup and precise method is presented, which was developed based on the continuous conductivity measurements of an aqueous phase, to study the washout of imidazolium ionic liquids (IL) from various silica-based ionogels immersed in water. The accuracy of the method was verified using HPLC, its reproducibility was confirmed, and its systematic errors were estimated. The experimental data show the rapid and almost complete (>90% in 5 h) washout of the hydrophilic IL (1-butyl-3-methylimidazolium dicyanamide) from the TMOS-derived silica ionogel. To lower the rate and degree of washout, several approaches were analysed, including decreasing IL content in ionogels, using ionogels in a monolithic form instead of a powder, constructing ionogels by gelation of silica in an ionic liquid, ageing ionogels after sol–gel synthesis and constructing ionogels from both hydrophobic IL and hydrophobic silica. All these approaches inhibited IL washout; the lowest level of washout achieved was ~14% in 24 h. Insights into the ionogels’ structure and composition, using complementary methods (XRD, TGA, FTIR, SEM, NMR and nitrogen adsorption), revealed the washout mechanism, which was shown to be governed by three main processes: the diffusion of (1) IL and (2) water, and (3) IL dissolution in water. Washout was shown to follow pseudo-second-order kinetics, with the kinetic constants being in the range of 0.007–0.154 mol−1·s−1.

Impact of emerging pollutants mixtures on marine and brackish phytoplankton: diatom Phaeodactylum tricornutum and cyanobacterium Microcystis aeruginosa

Pharmaceuticals and ionic liquids (ILs) are emerging as significant micropollutants with environmental presence and potential ecological impacts. The possible simultaneous occurrence of these two groups of pollutants in aquatic environments raises complex challenges due to their diverse chemical properties and potential for interactive effects. Given the documented widespread presence of pharmaceuticals and the emerging concerns about ILs, the study aims to evaluate the adverse effects of binary mixtures of imidazolium ionic liquid IM1-8C(CN)3 and two representatives of pharmaceuticals: antibiotic oxytetracycline (OXTC) and metabolite carbamazepine 10,11 epoxide (CBZ-E) on the brackish cyanobacterium Microcystis aeruginosa and the marine diatom Phaeodactylum tricornutum during chronic exposure experiments. A comprehensive approach was employed, incorporating various endpoints including oxidative stress, chlorophyll a fluorescence, detailed photoprotective and photosynthetic pigment profiles of target microorganisms to assess modes of action and identify the mixture effects of the selected substances.The observed alterations in pigment production affecting carotenoids synthesis in both selected species may be attributed to the differential impacts of these substances on the photosynthetic pathways and metabolic processes in the cyanobacterial and diatom cells. Changes in chlorophyll a fluorescence-specific parameters suggest impairment of the photosynthetic activity, particularly affecting the efficiency of photosystem II.The application of Concentration Addition (CA) and Independent Action (IA) mathematical models, complemented by the evaluation of Model Deviation Ratios (MDR), revealed predominantly antagonistic interactions within the studied mixtures. The findings of this study provide important insights into the effects of mixtures of organic micropollutants and their potential impact on environment including brackish and marine waters.

Investigation of the physicochemical and thermodynamic characteristics of imidazole ionic liquids with water and ethanol mixtures

The utilization of ionic liquids (ILs) as solvents in the preparation of regenerated cellulose fibers (RCFs) has garnered considerable research attention. The physicochemical properties of the ILs mixtures with coagulants significantly impact the morphology and characteristics of RCFs. This study determines the density and viscosity of 1-ethyl-3- methylimidazolium diethylphosphate ([Emim][DEP]), 1-ethyl-3-methylimidazolium dimethylphosphate ([Emim][DMP]), and 1‑butyl‑3-methylimidazolium dimethylphosphate ([Bmim][DMP]) in mixtures with water and ethanol. The thermodynamic data such as excess molar volumes, viscosity deviation, and excess Gibbs energy of activation for viscous flow, were also calculated and analyzed. The density and viscosity of [Bmim][DMP] is 1.1579 g·cm−3 and 367.97 mPa·s at 303 K, and the order of the interaction between different ILs and coagulants was obtained. In the meantime, the water activity of the ILs-water mixtures was also tested, and the constant pressure boiling point of ILs with water and ethanol mixtures was measured. Furthermore, the polar action parameters of ILs were determined by Reichardt's dye. The experimental results obtained have mutually confirmed each other. The investigation of the interaction between ILs and coagulants furnishes foundational data and theoretical support for the controlled formation of RCFs prepared using ILs as solvents.

Catalytic behavior, electronic structure and spectroscopic (FT-IR, Raman, UV–vis) properties for the new ionic liquid imidazolium hydrogen sulfate

Catalytic performance, chemical reactivity, vibrational modes and electronic transitions of the ion pair [H–Im]+[HSO4]– were investigated in the current paper. Hence, a combined experimental (Hammett acidity function, infrared, Raman and ultraviolet-visible spectroscopies) and theoretical (molecular electrostatic potential surface, reduced density gradient, frontier molecular orbital analysis, quantum theory of atoms in molecules, net atomic charges, global and local reactivity descriptors) study was conducted. In terms of the catalytic performance, the acetic acid esterification with butanol was evaluated. Important kinetic (rate constant, activation energy, pre-exponential factor) and thermodynamic (enthalpy, entropy, Gibbs free energy barrier) factors for ester production as a function of the temperature and catalyst loading have been determined. Results revealed intensive electron density distribution in [H–Im]+[HSO4]– due to chemical interactions between the cationic and anionic moieties. These bonds were established as electrostatic in nature. The pronounced charge transfers within [H–Im]+[HSO4]– managed the title compound acidity (H0) and its catalytic behavior towards butyl acetate synthesis. Using the thermodynamic and kinetic measurements, a mechanism for acetic acid esterification with butanol in the presence of imidazolium hydrogen sulfate ionic liquid was offered.

Separation of ethanol/n-hexane azeotrope by imidazolium ionic liquids: Experimental study and mechanism analysis

In the process of producing low-carbon alcohols from coal, azeotropic waste containing ethanol and n-hexane is generated. To prevent environmental risks and resource waste from solvent loss, this study selected green solvent ionic liquids (ILs) for their separation. First, we screened five anions with high selectivity based on the conductor-like screening model for realistic solvents (COSMO-RS), and through various quantum chemical calculations, we found that the anions play a significant role in the separation of the two components, with [HSO4]− showing the best separation performance. Second, we predicted the phase equilibrium data for ILs containing [HSO4] − in the azeotropic system, considering practical factors such as price and viscosity, and selected [EMIM][HSO4], [BMIM][HSO4], and [HMIM][HSO4] for experiments. The results indicated that simpler cation side chains enhance the separation capability of the system. Then, a toxicity analysis of the ILs ensured their biocompatibility and feasibility. Finally, we established the extraction distillation process and visualized the interactions between the ILs and the azeotropic system through molecular dynamics simulations. This work provides theoretical guidance for the separation of alcohols and alkanes in the industry.

Key Roles of Free Cations in Modulating the Reaction Rate in Imidazolium Ionic Liquid-Dimethyl Sulfoxide Mixtures.

Imidazolium ionic liquids (ILs) are widely utilized in various fields due to their distinctive properties. However, their high viscosity limits their application in specific reactions, and mixing ILs with organic components is a way to solve this problem. While previous studies mainly focused on the structural changes of ILs after adding organic molecules, no studies elucidated the influence of their existing species on chemical reactions. In this study, aerobic α-hydroxylation of 2-methylcyclohexanone was chosen as a model reaction, and the reaction rate was found to be adjusted by varying imidazolium concentration in its mixtures with dimethyl sulfoxide. To elucidate the mechanism, the distribution of species in an IL solution and its change with concentration were studied by molecular dynamics simulations, and the results revealed the significant impact of the concentration of free cations on the reaction rate. The interaction between the ionic species and reaction intermediate, as calculated by density functional theory, highlighted the crucial role of free cations in this reaction. This study demonstrates the feasibility of tuning the concentration of free cations by varying the concentration of the IL solution, establishing the relationship between its microstructure and chemical reaction efficiency, thus providing vital information for the design and application of ILs.

In-depth exploration of the interface mechanism of aqueous ammonium-ion batteries with ionic liquids

Aqueous ammonium-ion batteries have emerged as a research focus in recent years because of their distinctive advantages. Nevertheless, issues such as the side reaction of water, electrode element dissolution and others have an impact on their stability. The experimental findings demonstrate that the system incorporating ionic liquids (ILs) exhibits gratifying electrochemical performance. The Molecular Dynamics (MD) simulation approach was employed to investigate the alterations of NH4Cl aqueous batteries prior to and subsequent to the addition of imidazolium ionic liquids (ILs), with a focus on the impact on the anode's interface. It is found that the addition of ILs can reduce the interfacial water’s content at low charge. Interestingly, in the case of high charge, the water content at the interface didn’t decrease; instead, it increased. This phenomenon is associated with the initial increase followed by a decrease in the number of ionic liquid (IL) cations. Three conformations for IL cations were found near the interface, which are “parallel”, “slant” and “vertical”, and the proportion of the three had a certain influence on the content of interfacial water. The "parallel" configuration is more effective in reducing the interfacial water content, establishing it as the dominant conformation. The findings reported above will offer new theoretical support for the design and modification of aqueous ammonium ion electrolytes.

Predicting imidazolium ionic liquid properties with a simple molecular volume-based SAFT-VR Mie approach

Each thermodynamic model requires a distinct set of parameters for each component and these parameters must be transferable beyond their original estimation domain to accurately predict a variety of thermodynamic properties. Previous work introduced and evaluated a novel parametrization method for the solubility of ionic liquids in CO2 or CH4 [Chem. Eng. Sci. 2024, 285, 119610]. This methodology provides a fast and efficient way to evaluate ionic liquids by requiring only their molecular volume. In this study, the approach is extended to include both pure ionic liquids, examining properties such as density, isobaric heat capacity, isobaric expansivity, isothermal compressibility, and speed of sound, as well as their mixtures with ethanol or water, focusing on speed of sound, and excess enthalpy. Ionic liquids are modeled as both non-associating and associating components. Overall, the approach demonstrates good estimates and holds potential for extension to other models and systems.

Customizing Ionic Liquids Functionalized MOFs Composites with Hydrophobic Interface for Electrochemical CO2 Reduction.

The electrochemical carbon dioxide reduction reaction (CO2RR) to generate feedstocks for chemical products (e.g., carbon monoxide, CO) offers a highly attractive method for achieving the closure of the carbon cycle. Ionic liquids (ILs)-functionalized Cu-based catalyst Cu2O-HKUST-1/IL1/PTFE was developed, configuring metal-organic frameworks(MOFs) based materials with high adsorption and multiple active sites. The modified electrocatalysts exhibited high specific surface area, strong CO2 adsorption capacity, abundant active sites, and fast charge transfer rate. The nucleophilic active site of deprotonation at the C2 site in imidazole ILs further improved the selectivity of proton migration and CO product generation, which was verified through DFT calculations for the low Gibbs free energy of the generated intermediate interactions. In addition, the hydrophobic interface constructed by PTFE facilitated the inhibition of the hydrogen evolution reaction (HER) and significantly improved the efficiency of CO2 electroreduction. The Cu2O-HKUST-1/IL1/PTFE catalyst manifested a high C1 Faraday efficiency (FE) up to 96.5% and in particular 92.7% for FECO at -1.7 V vs RHE. The present work provides an efficient strategy for configuring ILs-functionalized MOFs-based materials with good hydrophobic interfaces to enhance the efficiency of CO2 electroreduction to C1 products.

Role of Multiple Intermolecular H-Bonding Interactions in Molecular Cluster of Hydroxyl-Functionalized Imidazolium Ionic Liquid: An Experimental, Topological, and Molecular Dynamics Study

Role of Multiple Intermolecular H-Bonding Interactions in Molecular Cluster of Hydroxyl-Functionalized Imidazolium Ionic Liquid: An Experimental, Topological, and Molecular Dynamics Study

Electrolytes from Alkoxyalkyl-substituted Imidazolium ionic liquids. Synthesis, characterization, properties and cell performance in LiFePO4 half-cells

Electrolytes based on lithium bis(trifluoromethane)sulfonimide (LiTFSI) salt and alkoxyalkyl-substituted imidazolium ionic liquids (ILs) have been studied. We have synthesized three different 1-alkoxyalkyl-3-methylimidazolium TFSI salts with different chain lengths (from 4 to 10 atoms) and with one to three oxygen atoms at position 1- of the imidazole ring. Both the neat ILs as well as the cognate lithium doped electrolytes have been structurally and physicochemically characterized and electrochemically evaluated.Thermal analyses indicate that the glass transition temperature of the electrolytes is displaced to higher temperatures than those of the corresponding neat ILs, being also higher (more positive) upon increasing the number of oxyethylene units. On the other hand, all 1 M LiTFSI doped synthesized electrolytes are thermally stable up to 300 °C.Raman spectroscopy results indicate that the fraction of TFSI anions coordinated to lithium ion decreases on increasing the number of alkoxy units. This finding implies that there is more “free” lithium ion available to link to the ethereal oxygen of the side chain of the imidazolium ring system. This fact influences the ionic conductivity of the neat ILs and their cognate electrolytes.The electrochemical properties —namely high room temperature conductivities as well as wide electrochemical stability windows— indicate that these materials are promising electrolytes for lithium-ion batteries (LIBs). Lithium half-cells using LiFePO4 (LFP) olivine have been assembled in order to assess the electrochemical performance by means of both cyclic voltammetry and galvanostatic charge/discharge tests. Overall, we have found that the electrochemical performance of these cells is better than that reported 1 M LiTFSI [Pyr14][TFSI], a common electrolyte in LIBs. The generated half-cell from the 1-alkoxyalkyl-3-methylimidazolium TFSI salts possess a high capacity up to 145 mAh∙g−1 at a current of 2C.The results reported herein show a striking relationship between structure and properties.

Cationic effect study in acetate-based ionic liquids/ZIF-8 composites for CO2 sorption

Several strategies can be considered for the mitigation of carbon dioxide (CO2) emissions to the atmosphere, and among them is its post-combustion capture/separation from flue gas emitted from coal-fired power plants. In this work, six imidazolium, ammonium- and DABCO-based ionic liquids (ILs) containing the acetate anion were used to impregnate the metal-organic framework (MOF) ZIF-8. The cationic effect was studied to determine how the different cationic families and side alkyl chain size influence the gas sorption performance of the produced IL@MOF composites. The combination of different characterization techniques confirmed IL impregnation, and that the composite materials were microporous and crystalline. Single-component CO2 and nitrogen (N2) sorption-desorption equilibrium measurements were performed at 303 K for ZIF-8 and the IL@ZIF-8 materials. At the low-pressure regime (0–1 bar), synergy was observed for the imidazolium-based composites, especially for the one with the long-side alkyl chain. The ideal CO2/N2 selectivity was calculated for post-combustion composition, and, at 1 bar, [C10MIM][Ac]@ZIF-8 was over four times more selective than ZIF-8, while the selectivity of [C2MIM][Ac]@ZIF-8 at this pressure almost tripled when compared to the MOF. A chemical reaction between CO2 and the imidazolium ILs explained the results.

Vinyl-containing covalent organic frameworks co-polymerized with imidazolium ionic liquids for the efficient cycloaddition of CO2 with epoxides

The chemical fixation of CO2 into high value-added cyclic carbonates over metal- and cocatalyst-free heterogeneous catalyst has attracted considerable attention and is still a challenge. Rationally integrating multifunctional units into porous materials has been regarded as a promising strategy to enhance catalytic efficiency. In this study, the poly (ionic liquid)-hierarchical covalent organic framework (R-PIL-COF, R refers to CH2NH2/CH2OH/COOH/CH3) hybrids were successfully fabricated via in situ copolymerization of vinyl-containing covalent organic framework and hydrogen bond donors (HBDs)-functionalized imidazolium ionic liquids. Among, CH2NH2-PIL-COF hybrid bearing acidic and basic sites possess moderate CO2 adsorption ability and hierarchical pore structure which promoted the activation of CO2 and epichlorohydrin. Furthermore, the influence on the catalytic activity of various HBD groups and grafting amounts of poly (ionic liquid)s were systematically investigated, and CH2NH2-PIL–COF–45 % exhibited an exceptional catalytic performance under mild conditions (100 °C and 1 MPa CO2 pressure). Additionally, CH2NH2-PIL–COF–45 % had broad substrate tolerance and excellent stability. Finally, a synergistic catalytic mechanism was proposed based on the experimental and characterization results. The strategy of co-polymerizing ionic liquids to COF provides a new way to develop efficient COF-based hybrids by the integration of nucleophilic units into the COF skeleton for CO2 fixation under cocatalyst-free and mild conditions.

Influence of imidazole-based ionic liquid surfactants on the wetting effect of long-flame coals

In order to study the wetting effect of C12MImBF4, C12MImBr and C12MImCl on long-flame coal, and their mechanism of action on coal-water bonding, physical experiments, molecular dynamics simulation and DFT theoretical calculation were combined in this work. It is confirmed that the imidazole ionic liquid surfactant optimizes the wetting effect by forming hydrogen bonds, reducing the surface tension of water, and increasing the number of free hydroxyl groups in coal. After the wettability test, the concentration of 4 g/L of the three ionic liquid surfactants had the best wetting effect on long-flame coal, and the contact angle at this concentration was reduced by more than 40 % compared with water within 0.2 s after dripping on the coal. Due to the difference in the anionic head group of the three surfactants, there are differences in the number and strength of hydrogen bonds formed between the three surfactants and water molecules, the results of wettability C12MImBF4 > C12MImCl > C12MImBr were presented. Combined with these characteristics of imidazole ionic liquids on long-flame coal, the reasonable application in the wet dust removal process of actual coal mine production can optimize the efficiency of droplet capture of coal particles, so as to effectively improve the dust removal capacity.

Ruthenium nanoparticle immobilised on ionic liquid polymer as efficient catalyst for the hydrolysis of NaBH4

Development of heterogeneous catalyst is significant key for achieving high performance of NaBH4 hydrolysis to produce hydrogen. The stability of sodium borohydride in the presence of suitable catalyst is the efficient method to generate hydrogen. In this work, styrene-imid PIILP, polymer 1 decorated styrene, imidazolium ionic liquid, and cross-coupling is successfully synthesised by AIBN initiated radical polymerisation, then precipitation with 3,3′,3″phosphinetriyltribenzene sulfonate with ratio (1:0.3) to isolate the first styrene-imid- sulphonated PIILP, polymer 2. RuNP@styrene-imid-sulphonated PIILP, RuNPs catalyst 3 was synthesised by impregnation with RuCl3, then reduction by NaBH4. Moreover, several analytical techniques such as, 31P, 1H, 13C solid-state NMR, CHN, IR, XPS, TEM, TGA-DTA, and SEM were examined to explore the obtained catalyst 3. The hydrogen generation from NaBH4 utilizing catalyst 3 was exhibited the catalytic behaviour studying several parameters such as, temperature, catalytic loading, and NaBH4 concentrations this work was deducted the activation energy (30.32 kJmol-1), and the turnover frequency (TOF) reached up 134.9, 112.77, and 98.38 moleH2.molcat−1.min−1 at 40, 35 and 30 °C. The effectiveness of Ruthenium nanoparticle catalyst 3 for the hydrolysis reaction of NaBH4 was examined in H2O and D2O resulting kinetic isotope effect (KIE) kH/kD = 3. In addition, RuNPs demonstrated a promising efficient for reuse catalyst 3 after five cycles for the catalytic hydrolysis.