Showing papers on "Chemical kinetics published in 2019"
TL;DR: This literature review attempts to be a comprehensive and more technical article in which the kinetics of alkoxysilanes polymerization are discussed, and the study of reaction mechanisms by using ab initio and Density Functional Theory methods alone and in combination with molecular dynamics or Monte Carlo methods.
Abstract: Scientists from various different fields use organo-trialkoxysilanes and tetraalkoxysilanes in a number of applications. The silica-based materials are sometimes synthesized without a good understanding of the underlying reaction kinetics. This literature review attempts to be a comprehensive and more technical article in which the kinetics of alkoxysilanes polymerization are discussed. The kinetics of polymerization are controlled by primary factors, such as catalysts, water/silane ratio, pH, and organo-functional groups, while secondary factors, such as temperature, solvent, ionic strength, leaving group, and silane concentration, also have an influence on the reaction rates. Experiments to find correlations between these factors and reaction rates are restricted to certain conditions and most of them disregard the properties of the solvent. In this review, polymerization kinetics are discussed in the first two sections, with the first section covering early stage reactions when the reaction medium is homogenous, and the second section covering when phase separation occurs and the reaction medium becomes heterogeneous. Nuclear magnetic resonance (NMR) spectroscopy and other techniques are discussed in the third section. The last section summarizes the study of reaction mechanisms by using ab initio and Density Functional Theory (DFT) methods alone, and in combination with molecular dynamics (MD) or Monte Carlo (MC) methods.
165 citations
TL;DR: A novel lattice-oxygen-involved UOR mechanism on Ni4+ active sites has significantly faster reaction kinetics than the conventional UOR mechanisms, and is outperforming the state-of-the-art catalysts.
Abstract: The electrocatalytic urea oxidation reaction (UOR) provides more economic electrons than water oxidation for various renewable energy-related systems owing to its lower thermodynamic barriers. However, it is limited by sluggish reaction kinetics, especially by CO2 desorption steps, masking its energetic advantage compared with water oxidation. Now, a lattice-oxygen-involved UOR mechanism on Ni4+ active sites is reported that has significantly faster reaction kinetics than the conventional UOR mechanisms. Combined DFT, 18 O isotope-labeling mass spectrometry, and in situ IR spectroscopy show that lattice oxygen is directly involved in transforming *CO to CO2 and accelerating the UOR rate. The resultant Ni4+ catalyst on a glassy carbon electrode exhibits a high current density (264 mA cm-2 at 1.6 V versus RHE), outperforming the state-of-the-art catalysts, and the turnover frequency of Ni4+ active sites towards UOR is 5 times higher than that of Ni3+ active sites.
161 citations
TL;DR: In this article, the activity, selectivity and mechanisms of commercially available noble and transition metal heterogeneous catalysts, on neutral (carbon) support were investigated for hydrodeoxygenation (HDO) of eugenol.
126 citations
TL;DR: Improving the reaction kinetics of hydrogen evolution and oxidation reactions (HER/HOR) in alkaline media is critical to promote the development of alkaline fuel cells and electrolyzers.
Abstract: Improving the reaction kinetics of hydrogen evolution and oxidation reactions (HER/HOR) in alkaline media is critical to promote the development of alkaline fuel cells and electrolyzers. Here, we p...
105 citations
TL;DR: In this paper, an atomically dispersed transition metal dimer species was employed to selectively accelerate the nitrogen reduction reaction kinetics for high reduction efficiency and simultaneously alleviate the additional reaction by numerous FeMoNxC active sites.
Abstract: The electrocatalytic nitrogen reduction reaction (NRR) is emerging as an attractive strategy for sustainable and distributed production of ammonia (NH3) under ambient conditions. Because of the use of unsatisfactory electrocatalysts, however, it is still encountering issues of low yield rates and limited efficiency, resulting from the sluggish reaction kinetics, the competing hydrogen evolution reaction and additional reaction product formation. Herein, an atomically dispersed transition metal dimer species was employed to selectively accelerate the nitrogen reduction reaction kinetics for high reduction efficiency and simultaneously alleviate the additional reaction. In this system, atomic Fe and Mo metal dimer in situ anchored on defect-rich graphene layers can realize selective electroreduction of nitrogen to ammonia by numerous FeMoNxC active sites. It exhibits higher catalytic activity than its counterparts (Fe@NG and Mo@NG) owing to a combination of ligand, geometric and synergistic effects, with a yield rate of 14.95 μg h−1 mg−1 at −0.4 V and a faradaic efficiency of 41.7% at −0.2 V. The superior performance of this atomic transition metal dimer catalyst can outperform some precious metal-based catalysts due to its excellent selectivity and high catalytic activity. The specific structure of the N-coordinated FeMo dimer was further identified to be FeMoN6 by density functional theory (DFT). The catalytic reaction pathway and mechanism were explored by (DFT) calculations and proposed based on the FeMoN6 model. The existence of numerous FeMoN6 active sites can not only weaken the NN bond, but also efficiently catalyze nitrogen reduction through the alternating pathway.
92 citations
TL;DR: It is demonstrated that the tremendous enhancement in reaction kinetics of MgH2 can be ascribed to the nanometer size and highly active {001} facets of anatase TiO2, thus easily improving the hydrogen desorption properties.
Abstract: Transition metal compounds are one of the highly efficient types of catalyst for improving the reaction kinetics of hydrogen storage materials. Among all the transition metals, titanium and its compounds show great catalytic effects on magnesium hydride. In this study, for the first time, TiO2 nanosheets with exposed {001} facets were synthesized and doped into MgH2. The TiO2 nanosheet (NS)-doped MgH2 showed superior kinetic performance and the lowest desorption temperature. The onset temperature of MgH2 + 5 wt% TiO2 NS for the release of hydrogen was 180.5 °C and the corresponding peak temperature was 220.4 °C, which are much lower than those of pure MgH2 and also distinctly lower than those of MgH2 + 5 wt% TiO2 nanoparticles (NP). For the isothermal dehydrogenation analysis, the MgH2 + 5 wt% TiO2 NS could release 6.0 wt% hydrogen within 3.2 min at 260 °C and desorb 5.8 wt% hydrogen within 6 min at 240 °C. It is worth noting that the MgH2 + 5 wt% TiO2 NS can even release 1.2 wt% hydrogen at a temperature as low as 180 °C within 300 min. The hydrogenation kinetics of MgH2 + 5 wt% TiO2 NS is also greatly improved, which could absorb hydrogen within only a few seconds at mild temperature. It can take up 3.3 wt% hydrogen at 50 °C and 5.4 wt% at 100 °C within 10 s. It is demonstrated that the tremendous enhancement in reaction kinetics of MgH2 can be ascribed to the nanometer size and highly active {001} facets of anatase TiO2. The higher average surface energy can significantly reduce the hydrogen desorption activation energy of MgH2 to 67.6 kJ mol−1, thus easily improving the hydrogen desorption properties.
78 citations
TL;DR: The experimental results showed that the degradation of PRO followed pseudo-first-order reaction kinetics, the degradation rate constant (kobs) was increased dramatically with increasing PS dosage or decreasing initial PRO concentration, and increasing the initial solution pH could also enhance the degradation efficiency of PRO.
64 citations
TL;DR: In this paper, the activation energy of chemical reactions has played a central role in the field of chemical kinetics and has served as an important tool for analyzing and understanding reaction rates, and the apparent activation energy has played an important role in chemical reactions.
Abstract: The apparent activation energy of chemical reactions has played a central role in the field of chemical kinetics and has served as an important tool for analyzing and understanding reaction rates, ...
63 citations
TL;DR: In this article, a systemic density functional theory (DFT) study on 2H-MoS2 is presented, in which the solvent effect is explicitly considered, and the results show that, regardless of the basal or edge plane, at the S sites of 2H-, MoS2, HER is more likely to proceed through the Volmer-Heyrovsky pathway and the activity of the edge S is higher than the basal S.
60 citations
TL;DR: In this article, Yttrium or Lanthanum-promoted indium oxide catalysts were investigated for the CO2 hydrogenation to methanol at a total pressure of 40 bar (528-573 K) using a laboratory flow reactor.
Abstract: Supported indium oxide catalysts are investigated for the CO2 hydrogenation to methanol at a total pressure of 40 bar (528–573 K) using a laboratory flow reactor. Surface reducibility, optical spectral characteristics, and catalytic rates and selectivity were correlated to catalyst composition. Promoted catalysts, especially Yttrium or Lanthanum-promoted indium oxide, require higher temperatures (H2-TPR) for surface reduction and display higher CO2 desorption temperatures (CO2-TPD). The promoted samples also have ˜20% higher methanol selectivity compared to the non-promoted catalyst, while having similar methanol formation rates (0.330–0.420 gMeOH gcat.−1 h−1 at 573 K). From 528 K to 558 K, methanol selectivity was over 80%, over all the promoted catalysts, and nearly 100% selectivity was observed at the low temperature range (˜528 K) investigated. The reaction kinetics of Y-promoted catalyst and the results of CO co-feeding experiments suggest that formate pathway is the likely reaction mechanism for methanol formation.
59 citations
TL;DR: In this article, the authors investigate the existence of partial chemical equilibrium (PCE) and how process parameters and packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in a DBD plasma reactor.
TL;DR: It is demonstrated that the electrocatalytic reduction of O2 by the pyridylalkylamine copper complex [Cu(tmpa)(L)]2+ in a neutral aqueous solution follows a stepwise 4 e- /4 H+ pathway, in which H2 O2 is formed as a detectable intermediate and subsequently reduced to H2O in two separate catalytic reactions.
Abstract: Catalytic pathways for the reduction of dioxygen can either lead to the formation of water or peroxide as the reaction product. We demonstrate that the electrocatalytic reduction of O2 by the pyridylalkylamine copper complex [Cu(tmpa)(L)]2+ in a neutral aqueous solution follows a stepwise 4 e−/4 H+ pathway, in which H2O2 is formed as a detectable intermediate and subsequently reduced to H2O in two separate catalytic reactions. These homogeneous catalytic reactions are shown to be first order in catalyst. Coordination of O2 to CuI was found to be the rate‐determining step in the formation of the peroxide intermediate. Furthermore, electrochemical studies of the reaction kinetics revealed a high turnover frequency of 1.5×105 s−1, the highest reported for any molecular copper catalyst.
TL;DR: In this article, the authors explored the mechanism for hydrodeoxygenation (HDO) of bio-oil, which contains large compounds that share similar molecular structures of phenyl ring with oxygen-containing functional groups, using the synthesized zirconia-supported Rh catalyst in a batch reactor.
TL;DR: In this paper, a multi-scale computational approach was proposed to model the gas-phase chemical kinetics for metal-Organic Chemical Vapor Deposition (MOCVD) of WSe2 using W(CO)6 and H2Se as gas phase precursors.
TL;DR: In this paper, a simple basic zirconium carbonate (BZC) was used for hydrogen transfer of biomass-derived carboxides and exhibited excellent catalytic properties at low temperatures, especially for the conversion of furfural (FUR) to furfuryl alcohol (FFA).
01 Jan 2019
TL;DR: In this paper, a chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry, and the rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically.
Abstract: The oxidation properties of propane have been investigated by conducting experiments in a laminar flow reactor at a pressure of 100 bar and temperatures of 500–900 K. The onset temperature for reaction increased from 625 K under oxidizing conditions to 725 K under reducing conditions. A chemical kinetic model for high pressure propane oxidation was established, with particular emphasis on the peroxide chemistry. The rate constant for the important abstraction reaction C3H8 + HO2 was calculated theoretically. Modeling predictions were in satisfactory agreement with the present data as well as shock tube data (6–61 bar) and flame speeds (1–5 bar) from literature.
TL;DR: In this article, the authors reported ultrasound assisted biodiesel synthesis using blended feedstock of non-edible oils and commercial immobilized lipase from Thermomyces lanuginosus.
TL;DR: In this paper, the diffusion behaviors of reactant and product molecules involved in carbonylation on MOR have been investigated by Monte Carlo associated with molecular dynamics simulation, based on adsorption density map, diffusion trajectory and diffusion coefficient of reaction species.
TL;DR: In this paper, an extensive dataset suitable for kinetic calculations was collected for the hydration of monoclinic alite at water to solid ratios of 10 and 0.5, and reaction rates for the two kinetic steps alite dissolution and C-S-H precipitation were calculated from this dataset and compared to the measured reaction rates.
TL;DR: Investigation of reaction kinetics and mechanisms between SO2 and condensed-phase peroxides indicates that this novel pathway of SO2-peroxide reaction is important for sulfate formation in submicron aerosols.
Abstract: Sulfur oxides (SOx) are important atmospheric trace species in both gas and particulate phases, and sulfate is a major component of atmospheric aerosol. One potentially important source of particulate sulfate formation is the oxidation of dissolved SO2 by organic peroxides, which comprises a major fraction of secondary organic aerosol (SOA). In this study, we investigated the reaction kinetics and mechanisms between SO2 and condensed-phase peroxides. pH-dependent aqueous phase reaction rate constants between S(IV) and organic peroxide standards were measured. Highly oxygenated organic peroxides with O/C > 0.6 in α-pinene SOA react rapidly with S(IV) species in the aqueous phase. The reactions between organic peroxides and S(IV) yield both inorganic sulfate and organosulfates (OS), as observed by electrospray ionization ion mobility mass spectrometry. For the first time, 34S-labeling experiments in this study revealed that dissolved SO2 forms OS via direct reactions without forming inorganic sulfate as a reactive intermediate. Kinetics of OS formation was estimated semiquantitatively, and such reaction was found to account for 30-60% of sulfur reacted. The photochemical box model GAMMA was applied to assess the implications of the measured SO2 consumption and OS formation rates. Our findings indicate that this novel pathway of SO2-peroxide reaction is important for sulfate formation in submicron aerosol.
TL;DR: In this article, the surface site fractions of single atoms and nanoparticles were quantified using CO oxidation kinetics on Ir/MgAl2O4 to quantify the surface sites fractions.
TL;DR: In this paper, microkinetic models have been developed incorporating various catalytic pathways including formation of 4-hydroxypentanoic acid (HPA) and α-angelicalactone (AGL) to simulate the catalytic activity of Ru(0, 0,0,0.0.1) under various reaction conditions of solvent, temperature, and partial pressures.
TL;DR: This chemistry indicates that SOZs and other oxygenates will form via ozonolysis of oily indoor surfaces and skin oil through reactions of the Criegee intermediates to form hydroperoxides.
Abstract: Ozone is an important oxidant in the environment. To study the nature of multiphase ozonolysis, an unsaturated triglyceride, triolein, of the type present in skin oil, biological membranes, and most cooking oils was oxidized by gas-phase ozone on a surface. A high-performance liquid chromatography/electrospray ionization mass spectrometry (HPLC-ESI-MS) method was developed for analyzing triolein and its oxidized products. Upon exposure to ozone, the decay of thin coatings of triolein was observed, accompanied by the formation of functionalized condensed-phase products including secondary ozonides (SOZ), acids, and aldehydes. By studying the reaction kinetics as a function of average coating thickness and ozone mixing ratio, we determined that the reactive uptake coefficient (γ) is on the order of 10-6 to 10-5. It is also concluded that the reaction occurs in the bulk without a major interfacial component, and the reacto-diffusive depth of ozone in the triolein coating is estimated to be between 8 and 40 nm. The specific nature of the reaction products is affected by the reactions of the Criegee intermediate formed during ozonolysis. In particular, although an increase in the relative humidity to 50% from dry conditions has no effect on the kinetics of triolein decay, the yield of SOZs is significantly depressed, indicating reactions of the Criegee intermediates to form hydroperoxides. Once formed, the SOZ products are thermally stable over periods of at least 48 h at room temperature but decomposition was observed under simulated outdoor sunlight, likely forming organic acids. From an environmental perspective, this chemistry indicates that SOZs and other oxygenates will form via ozonolysis of oily indoor surfaces and skin oil.
TL;DR: In situ transmission electron microscopy is used to study the dynamic process of the spinel zinc ferrite nanoparticles as a function of size, finding that the intercalation reaction pathway changes below a critical particle size.
Abstract: Spinel transition metal oxides (TMOs) have emerged as promising anode materials for lithium-ion batteries. It has been shown that reducing their particle size to nanoscale dimensions benefits overall electrochemical performance. Here, we use in situ transmission electron microscopy to probe the lithiation behavior of spinel ZnFe2O4 as a function of particle size. We have found that ZnFe2O4 undergoes an intercalation-to-conversion reaction sequence, with the initial intercalation process being size dependent. Larger ZnFe2O4 particles (40 nm) follow a two-phase intercalation reaction. In contrast, a solid-solution transformation dominates the early stages of discharge when the particle size is about 6–9 nm. Using a thermodynamic analysis, we find that the size-dependent kinetics originate from the interfacial energy between the two phases. Furthermore, the conversion reaction in both large and small particles favors {111} planes and follows a core-shell reaction mode. These results elucidate the intrinsic mechanism that permits fast reaction kinetics in smaller nanoparticles. Reducing particle size of electrode materials to nanoscale dimensions is believed responsible for their enhanced reaction kinetics and electrochemical performance. Here, the authors use in situ transmission electron microscopy to study the dynamic process of the spinel zinc ferrite nanoparticles as a function of size, finding that the intercalation reaction pathway changes below a critical particle size.
TL;DR: The ability of alcohols to catalyze the 1,4-H transfer unimolecular decomposition of α-methyl substituted sCIs is demonstrated, suggesting that in regions with elevated alcohol concentrations, such as urban Brazil, these reactions may generate significant quantities of AAAHs and may begin to compete with sCI reactions with other trace tropospheric pollutants such as SO2.
Abstract: High-level ab initio calculations (DF-LCCSD(T)-F12a//B3LYP/aug-cc-pVTZ) are performed on a range of stabilized Criegee intermediate (sCI)–alcohol reactions, computing reaction coordinate energies, leading to the formation of α-alkoxyalkyl hydroperoxides (AAAHs). These potential energy surfaces are used to model bimolecular reaction kinetics over a range of temperatures. The calculations performed in this work reproduce the complicated temperature-dependent reaction rates of CH2OO and (CH3)2COO with methanol, which have previously been experimentally determined. This methodology is then extended to compute reaction rates of 22 different Criegee intermediates with methanol, including several intermediates derived from isoprene ozonolysis. In some cases, sCI–alcohol reaction rates approach those of sCI–(H2O)2. This suggests that in regions with elevated alcohol concentrations, such as urban Brazil, these reactions may generate significant quantities of AAAHs and may begin to compete with sCI reactions with o...
TL;DR: In this article, the effect of alkali concentration on the reaction kinetics and mechanism of fly ash geopolymerization was assessed by using heat of reaction data measured at isothermal conduction calorimeter at different reaction temperatures, 34-60°C.
Abstract: This paper assesses the effect of alkali concentration on the reaction kinetics and mechanism of fly ash geopolymerization. The kinetic parameters of fly ash with different alkali (6–10 M NaOH) solution have been determined by using heat of reaction data measured at isothermal conduction calorimeter at different reaction temperatures, 34–60 °C. With increasing alkali concentration the peak gets intensify and position shifts towards higher time and total heat of reaction enhances. At higher alkali concentration amount of Al and Si dissolute increases, thus, higher energy is required to initiate and forward the reaction. However, the kinetic parameters are varying with alkali, but no alternation is determined in the involved reaction mechanism, nucleation and growth. The apparent activation energy has been evaluated by rate method, suggests three main steps such as dissolution, gel formation and restructuring process of geopolymer reaction. Fly ash geopolymerization is kinetically favored in between 39 and 45 °C temperature with all alkali concentration in experimented condition.
TL;DR: The present study demonstrates innovative and industrially viable in-situ biodiesel production process using coordinated ultrasound-microwave reactor and thermal properties of biodiesel were found in agreement with ASTM and DIN standards in comparison to gasoline diesel.
TL;DR: The low-temperature dehydration of fructose to HMF in different deep eutectic solvents was investigated and a very active and selective reaction system consisting of the DES tetraethyl ammonium chloride as hydrogen bond acceptor (HBA) and levulinic acid as hydrogen Bond donor (HBD) was found leading to a maximum HMF yield of 68% after 120 h at 323 K.
Abstract: HMF synthesis typically requires high temperature and is carried out in aqueous solutions. In this work, the low-temperature dehydration of fructose to HMF in different deep eutectic solvents (DES) was investigated. We found a very active and selective reaction system consisting of the DES tetraethyl ammonium chloride as hydrogen bond acceptor (HBA) and levulinic acid as hydrogen bond donor (HBD) in a molar ratio of 1:2 leading to a maximum HMF yield of 68% after 120 h at 323 K. The DES still contained a low amount of water at the initial reaction, and water was also produced during the reaction. Considering the DES properties, neither the molar ratio in the DES nor the reaction temperature had a significant influence on the overall performance of the reaction system. However, the nature of the HBA as well as the acidity of the HBD play an important role for the maximum achievable HMF yield. This was validated by measured yields in a DES with different combinations of HBD (levulinic acid and lactic acid) and HBA (choline chloride and tetra-n-alkyl ammonium chlorides). Moreover, addition of vanadium containing catalysts, especially the polyoxometalate HPA-5 (H8PV5Mo7O40) leads to drastically increased reaction kinetics. Using HPA-5 and the DES tetraethyl ammonium chloride-levulinic acid we could reach a maximum HMF yield of 57% after only 5 h reaction time without decreasing the very high product selectivity.
TL;DR: A combined (fixed-J) two-dimensional master-equation/semi-classical transition state theory/variational Rice-Ramsperger-Kassel-Marcus approach has been used to compute reaction rate coefficients of •OH with CH3OH over a wide range of temperatures and pressures based on a potential energy surface that has been constructed using a modification of the high accuracy extrapolated ab initio thermochemistry (HEAT) protocol.
Abstract: A combined (fixed-J) two-dimensional master-equation/semi-classical transition state theory/variational Rice-Ramsperger-Kassel-Marcus approach has been used to compute reaction rate coefficients of •OH with CH3OH over a wide range of temperatures (10–2500 K) and pressures (10−1–104 Torr) based on a potential energy surface that has been constructed using a modification of the high accuracy extrapolated ab initio thermochemistry (HEAT) protocol. The calculated results show that the title reaction is nearly pressure-independent when T > 250 K but depends strongly on pressure at lower temperatures. In addition, the preferred mechanism and rate constants are found to be very sensitive to temperature. The reaction pathway CH3OH + •OH → CH3O• + H2O proceeds exclusively through tunneling at exceedingly low temperatures (T ≤ 50 K), typical of those established in interstellar environments. In this regime, the rate constant is found to increase with decreasing temperature, which agrees with low-temperature experimental results. The thermodynamically favored reaction pathway CH3OH + •OH → •CH2OH + H2O becomes dominant at higher temperatures (T ≥ 200 K), such as those found in Earth’s atmosphere as well as combustion environments. By adjusting the ab initio barrier heights slightly, experimental rate constants from 200 to 1250 K can be satisfactorily reproduced.
TL;DR: In this paper, the synthesis of cyclic carbonates from bio-based limonene oxide (LO) and CO2 catalysed by commercially available inexpensive, tetrabutylammonium halides (TBAX) was reported.
Abstract: Bio-derived cyclic carbonates are of significant research interest as building blocks for non-isocyanate polyurethanes (NIPUs). Cyclic carbonates from limonene are bio-renewable monomers for the production of fully bio-based polymers from citrus waste; however, there are currently very few reports on their synthesis. This work reports the synthesis of five-membered cyclic carbonates from bio-based limonene oxide (LO) and CO2 catalysed by commercially available inexpensive, tetrabutylammonium halides (TBAX). The cycloaddition of CO2 with commercial LO mixture of cis/trans-isomers (40:60) is highly stereoselective and the trans-isomer exhibits considerably higher conversion than the cis-isomer. Therefore, a stereoselective method of (R)-(+)-limonene epoxidation was performed to achieve a significantly higher yield of the trans-isomer (87 ± 2%) than cis-isomer, which leads to high conversion and yield to the corresponding cyclic carbonates. The catalytic effect of halide anions (X¯) and the influence of operational reaction parameters such as temperature, pressure, and catalyst amount were studied. High conversion (87%) was obtained after 20 h at 120 °C, 40 bar CO2 using 6 mol% tetrabutylammonium chloride (TBAC) catalyst. A detailed study of the reaction kinetics revealed the reaction to be first-order in epoxide (LO), CO2 and catalyst (TBAC) concentrations. Moreover, the temperature dependence of the reaction was studied using Arrhenius and Eyring equations. The activation energy (Ea) of the reaction was calculated to be 64 kJ mol–1. The high positive value of Gibbs free energy (ΔG‡ = 102.6 kJ mol–1) and negative value of activation entropy (ΔS‡ = –103.6 J mol–1) obtained as result of the thermodynamic study, indicate that the reaction was endergonic and kinetically controlled in nature.