Reaction Of Chloride Research Articles

Bubbling Chemical Vapors in Molten Metal toward XIV-Group Nanosheets.

Two-dimensional (2D) XIV-group nanosheets (germanene, silicene, and stannene) possess unique physical and chemical features promising in fields of electronics, energy storage, and conversions. However, preparing these nanosheets is challenging owing to their non van der Waals structure with strong chemical bonds inside. Herein, a bubbling chemical-vapor growth method is proposed to synthesize these XIV-group nanosheets by bubbling XIV-group-element chlorides in molten sodium. During the synthetic process, XIV-group materials are formed by the reaction of XIV-group element chlorides with strong reducing sodium, then nucleated, and finally isolated to 2D nanosheets in the gas-liquid interface. With the collapse of vapor bubbles and subsequent injection, 2D nanosheets are continuously produced. The nanosheets (Ge) possess a thickness of ∼3.8 nm and a lateral size of ∼2.0 μm. Combining with graphene, the hybrid and flexible films are obtained, delivering a volumetric specific capacity of 4785 mAh cm-3 and superior cycling stability (over 4000 cycles) in lithium-ion batteries.

Synthesis, crystal structure, characterization and corrosion inhibition studies of a strontium coordination polymer with tartaric acid

The reaction of anhydrous strontium chloride with the proton transfer compound 1-H-Imidazolium Hydrogen- meso-tartrate in water resulted in the formation of polymeric tartrate complex of strontium which is characterised by SXRD, IR, UV-Visible and TG/DTG analyses. The single crystal X-ray diffraction analysis reveals that each strontium atom is eight coordinate with distorted dodecahedral arrangement. The two metal fragments are linked through central four-membered Sr2O2 ring and there is no imidazole moiety in the complex. The compound displays a rare crystallographic feature where a shared hydrogen atom is located between two carboxylic groups. This unusual arrangement of hydrogen atom with an occupancy factor 0.5, located in between two carboxylate groups balances the total charge of the structure. FT- IR study reveals the bidentate coordination mode of the ligand. The thermal behaviour of the compound was studied using TG/DTG analysis. Corrosion inhibition property of the title compound on mild steel in 1.0M HCl has been investigated using weight loss method. The formation of protective film on the mild steel surface is confirmed by Scanning Electron Microscopy images. The inhibition efficiency increases with increase in concentration of inhibitor.

A convenient bottom up route to covalently anchor Pd(II)-PEPPSI on layered zirconium(IV) phosphonate: Efficient catalyst for Suzuki-Miyaura cross coupling of aryl chlorides

A rational and bottom-up route for assembling layered Zr(IV) phosphonate framework decorated with covalently anchored N-heterocyclic carbene NHC-Pd(II) fragment has been developed. Reaction of phosphonic acid functionalized Pd(II)-NHC precursor complex with ZrOCl2·8H2O provides easy access to a layered material with covalently anchored catalytically active Pd(II)-NHC sites. The Pd(II)-NHC functionalized Zr(IV) phosphonate showed enhanced catalytic activity in Suzuki-Miyaura cross coupling reaction of both aryl bromides and chlorides with aryl boronic acid, as compared to their homogeneous counterparts. The Zr(IV) phosphonate framework imparts remarkable robustness to the Pd(II)-NHC catalyst and allowed recycling of the catalyst up to nine catalytic cycles without any major loss of catalytic activity.

Synthesis of new pyrazoles, thiadiazoles, and trizolotriazines compounds that act as an antibacterial agents using C-ethoxycarbonylhydrazonoyl chloride precursor: Molecular docking simulation and in silico ADMET prediction studies

Treatment of C-ethoxycarbonylhydrazonoyl chloride with active methylene-containing compounds such as dibenzoylmethane or malononitrile in sodium ethoxide solution yielded in each case pyrazole derivatives. The latter pyrazoles were used as a useful precursors in the synthesis of new heterocyclic compounds like pyrazoles and 1,3,4-thiadizaoles upon reaction with hydrazonoyl halides. Also, the reaction of C-ethoxycarbonylhydrazonoyl chloride with the approperiate triazinethiones in chloroform in the presence of catalytic amount of triethylamine at reflux yielded the corresponding triazolotriazines. The structures of the newly synthesized compounds were confirmed based on elemental analyses and spectral data. The antibacterial activities were studied against two gram-positive and two gram-negative bacteria, the results represented that compound 26a showed antibacterial activity against Salmonella (22 mm) and E. coli (6 mm), as well as compound 26b against Salmonella (5 mm) and Staphylococcus aureus (10 mm) while the rest compounds showed no antibacterial activities. The molecular docking simulation was investigated for the most active compounds 26a and 26b. The results confirm that compounds 26a and 26b are promising candidates for potential inhibitors of DNA gryA (P37411) of Salmonella and Transpeptidases of Staphylococcus aureus.

High mechanical, self-adhesive oxidized guar gum/chitosan hydrogel prepared at room temperature based on a nickel-urushiol catalytic system for wireless wearable sensors

Recently, sensors constructed on the basis of hydrogel are playing a major role in health detection such as motion detection and breathing monitoring. However, the common hydrogels have poor mechanical properties, insufficient adhesion and complex preparation processes, which hinder the further use of such sensors. In this paper, the conductive hydrogel (P(AA-UH)-OGG-CS/NiCl2) composed of acrylic acid (AA), oxidized guar gum (OGG) and chitosan (CS) was prepared at room temperature through the dynamic redox reaction of nickel chloride (NiCl2) and urushiol (UH). In detail, the reduction group (phenolic hydroxyl) of UH and Ni2+/Ni3+ pair form a semi-quinone/quinone redox dynamic cycle system, allowing the hydrogel to quickly gel at room temperature for 3 min. The catechol group in UH also promotes the hydrogel to have a superior adhesion strength of 25.23 kPa to pig skin and a strong repeated adhesion performance. In addition, the dynamic Schiff base bond created by the interaction of OGG and CS elevated the tensile stress of the hydrogel to 67.54 kPa. After the hydrogel is assembled into the sensor, it has high sensitivity and high stability to different strains, and has great application prospects in the field of actual human health monitoring.

A Novel Family of Selenazolo[3,2-a]pyridinium Derivatives Based on Annulation Reactions and Comparative Analysis of Antimicrobial Activity of the Selenium and Sulfur Analogs of Chalcogenazolo[3,2-a]pyridiniums

The synthesis of a novel family selenazolo[3,2-a]pyridin-4-ium derivatives in high yields was developed based on the annulation reactions of 2-pyridineselenenyl chloride with unsaturated heteroatom and heterocyclic compounds. The analogous new thiazolo[3,2-a]pyridin-4-ium derivatives were obtained by the annulation reactions of 2-pyridinesulfenyl chloride. The reactions with vinylic ethers and N-vinylimidazole gave 3- substituted selenazolo[3,2-a]- and -[1,3]thiazolopyridin-4-ium derivatives, whereas reactions with allyl alcohol, allyl chloride, allyl bromide, 3-butenoic, 4-pentenoic and 5-hexenoic acids occurred with the opposite regiochemistry, affording 2-substituted [1,3]chalcogenazolo[3,2-a]pyridiniums. The antibacterial activity of the obtained products against gram-positive and gram-negative bacteria was evaluated, and compounds with high activity were discovered. A comparison of the antibacterial properties of [1,3]selenazolo[3,2-a]pyridin-4-ium derivatives with their sulfur analogs shows a higher activity of the selenium compounds.

Improved efficiency of continuous conversion of alcohols to chlorides in flow microreactors with DESs/HCl via predictive fluid model

The efficient and safe synthesis of chlorides is attractive in pharmaceutical chemicals yet presents challenges. Herein, a novel route has been developed for the conversion of alcohols into the corresponding alkyl chlorides in continuous flow microreactor. Meanwhile, the system utilizes deep eutectic solvents (DESs) hydrochloride solutions (DESs/HCl) as both solvents and catalysts for this reaction. The results suggest that the premixed mode continuous flow microreactor using DESs/HCl can significantly improve the harsh reaction conditions in the synthesis reaction of chlorides. Furthermore, tuning the HCl concentration under 383 K and 30 min conditions significantly increased the yields of n-Butanol chloride and Benzyl chloride to 86 % and 98 %, respectively. This work shows the great application potential of the continuous flow microreactor combined with DESs/HCl to convert alcohols into corresponding alkyl chlorides or aryl chlorides. Besides, the fluid model and HCl absorption kinetics were established based on the calculated diffusion coefficients (DR), Damköhler number (Da), Bodenstein number (Bo), residence time (τ), and experimental results. The flow model of the mixture of DESs/HCl and alcohols in the microreactor was a plug flow, which is beneficial for improving the efficiency of this reaction.

The Physicochemical Analysis of the Interaction Reaction of Potassium Chloride with Ammonium Hydrosulfate

The Physicochemical Analysis of the Interaction Reaction of Potassium Chloride with Ammonium Hydrosulfate

Accessing Furan-Linked Methylene Oxindoles/Benzofurans via Stereoselective Palladium-Catalyzed Domino Cyclization/Cycloisomerization.

A palladium-catalyzed domino cyclization/cycloisomerization reaction of alkyne-tethered carbamoyl chlorides with (E)-β-chloroenones is reported. This reaction proceeds via a syn-carbopalladation of the alkyne, followed by a vinyl-PdII-catalyzed cycloisomerization of the (E)-β-chloroenone cascade, which provides an efficient method to synthesize furan-linked methylene oxindoles. The reaction features stereodefined vinyl-PdII species, high to excellent 5-exo/6-endo selectivity, excellent Z/E selectivity, and the sequential formation of three bonds and bis-heterocycles. The strategy for the synthesis of furan-containing benzofurans has also been demonstrated.

An Efficient and Eco-Friendly Recycling Route of Valuable Metals from Spent Ternary Li-Ion Batteries: Kinetics Evaluation of Chlorination Processes and Regeneration of LiNi0.8Co0.1Mn0.1O2 Cathode Materials.

The recycling of spent Li-ion batteries is urgent, and the effective recovery of valuable metals from spent cathode material is an economic and eco-friendly approach. In this study, Ni, Cu, Co, and Mn were extracted synchronously from spent LiNixCoyMn1-x-yO2 by chlorination and the complexation reaction of ammonium chloride at low temperatures. The kinetics of the chlorination process was investigated by nonisothermal thermal analysis to determine the rate equation of metal conversion, and the apparent activation energies were calculated to be 99.96 kJ·mol-1 for lithium and 146.70 kJ·mol-1 for nickel, cobalt, and manganese, respectively. The separation of valuable metals from polymetallic leaching solution and the regeneration of cathode materials were further investigated to promote the industrialization of the process. The recoveries of Ni, Co, Mn, and Li can reach 97.75, 99.99, 99.99, and 92.23%, respectively. The prepared LiNi0.8Co0.1Mn0.1O2 precursor is a multilayer spherical particle formed by stacking primary hexagonal nanosheets along the (010) crystal axis, the formation mechanism of which was discussed. The effect of temperature, time, and mixed lithium ratio on the performance of single crystal LiNi0.8Co0.1Mn0.1O2 cathode in the synthesis process was investigated to determine the optimum conditions. Compared with commercial materials, the prepared single crystal LiNi0.8Co0.1Mn0.1O2 cathode has a more regular crystal structure and higher initial discharge capacity (215.9 mAh·g-1 at 0.1 C).

Impact of Heat Treatment on the Structural, Optical, Magnetic and Photocatalytic Properties of Nickel Oxide Nanoparticles.

The precursor nanoparticles of nickel hydroxide (Ni(OH)2) and nickel oxide (NiO) were successfully converted into the latter by the reaction of nickel chloride with hydrazine at ambient temperature. (TGA) and (DSC) were adapted for annealing the precursor products at different annealing temperatures (210, 285, 350, 390, 425, and 450 °C). XRD, TEM, and UV-VIS absorption spectroscopy were used to characterize the products. Both the band edge and energy gap values decrease with increasing annealing temperatures. Hysteresis loops are visible in the M-H curves of annealed (350 °C and 390 °C) precursor NiO NPs, indicating the presence of ferromagnetic Ni domains. However, NiO nanoparticles annealed at higher temperatures (425 °C and 450 °C) had a straight M-H curve, indicating paramagnetic properties. NiO NPs were used to study photocatalysis in the degradation of the MB dye. As annealing temperatures increased, the catalyst caused the degradation of MB. The sample that was annealed at 450 °C, however, exhibits the maximum photocatalytic activity, reaching up to 72.4% after being exposed to visible light. In other words, it was discovered that as the catalyst's annealing temperature rose, so did the rate of MB's photocatalytic degradation.

Reactions of 2-chloropropionyl chloride on Cu(100): C-Cl bond cleavage and formation of methylketene and its dimer.

X-ray photoelectron spectroscopy, reflection-absorption infrared spectroscopy, and temperature-programmed reaction/desorption have been employed to investigate the reaction of CH3-CHCl-C(=O)Cl on Cu (100), with the aid of density functional theory (DFT) calculations. Experimentally, CH3-CH=C=O (methylketene) is found to be the product from the dechlorination of CH3-CHCl-C(=O)Cl on Cu(100) at 120K. The CH3-CH=C=O generated on the surface would dimerize to form 2,4-dimethylcyclobutane-1,3-dione below 180K. In agreement with the experimental findings, our DFT molecular dynamics simulations demonstrate that the dechlorination of CH3-CHCl-C(=O)Cl, resulting in CH3-CH=C=O and two Cl atoms, occurs readily, completing within 0.6ps at 300K. The simulations also indicate that the cleavage of the CH-Cl bond precedes that of the C(=O)-Cl bond. The static DFT calculations suggest that the dimerization of CH3-CH=C=O primarily occurs through the coupling of two C=C bonds, which has a lower barrier of 38.08 kJ mol-1 compared to the 69.05 kJ mol-1 barrier for C=C + C=O coupling.

Development and characterization of an aluminum-enhanced graphene oxide nanocomposite: An Eco-friendly and sustainable catalyst for electrochemical Friedel-crafts reactions

This study focuses on the development and characterization of an eco-friendly and sustainable aluminum-modified graphene oxide nanocomposite (AlNPs/GO-Gu) as a catalyst for electrochemical Friedel-Crafts reactions. The catalyst exhibits remarkable efficiency in the synthesis of benzophenone derivatives 4(a-l) through the reaction of benzoyl chloride 1(a-h) and benzene 2(a-f). The nanocomposite was thoroughly characterized using various analytical techniques, including Brunauer-Emmett-Teller (BET), Fourier Transform Infrared Spectroscopy (FT-IR), Thermogravimetric analysis (TGA) and transmission electron microscopy (TEM) spectroscopy, scanning electron microscopy (SEM), energy dispersive X-ray (EDS). The results confirmed the successful integration of Al with graphene oxide, leading to modified catalytic activity. The electrochemical Friedel-Crafts reaction, mediated by this nanocomposite catalyst, demonstrates high selectivity and yields of benzophenone derivatives 4(a-l) in good to excellent yields (89–94 %). Moreover, this environmentally friendly approach avoids the use of hazardous reagents and promotes sustainable synthesis methodologies. The Al-modified graphene oxide nanocomposite exhibits excellent reusability, making it a promising candidate for green and sustainable organic synthesis processes. This research offers insights into the development of catalysts with improved catalytic performance while prioritizing environmental sustainability, creating fresh opportunities for the field of organic synthesis and catalysis.

Ionic Lignin Polymers for Controlled CO2 Capture, Release, and Conversion into High-Value Chemicals.

In this study, an innovative and cost-effective ionic polymer for CO2 capture and utilization for the first time, using abundant and nonfood-based biomass lignin is reported. The modified ionic polymer synthesizes through the reaction of glycidyltrimethylammonium chloride with lignin under alkaline conditions to yield quaternary ammonium ionic functionality. Subsequently, the hydroxide-based pure ionic lignin polymer is employed for CO2 capture from both direct air and concentrated CO2 sources at room temperature and atmospheric pressure. Structural characterization of the polymers is accomplished through 1H, 13C, and 2D-heteronuclear single quantum coherence (HSQC)NMR, and FT-IR spectroscopy. The CO2 capture process is established through the formation of bicarbonate ions alongside the presence of CO2. The captured CO2 is precisely quantified by using inverse-gated proton decoupled 13C NMR with an internal standard (trioxane). Remarkably, the captured-CO2 amounts of ionic lignin polymer are 1.06mmol g-1 (47mg g-1) from concentrated-CO2 source and 0.60mmol g-1 (26mg g-1) from direct-air. The captured-CO2 in ionic lignin polymer is released in controlled manner and utilized in the synthesis of cyclic carbonate, showcasing the productive application of the captured carbon. Moreover, the fully controlled recovering of ionic lignin polymer achieves via repeated CO2 release ↔ CO2 capture.

Investigation of cholinesterase and α-glucosidase enzyme activities, and molecular docking and dft studies for 1,2-disubstituted cyclopentane derivatives with phenyl and benzyl units.

Six known products (4-9) were prepared from reaction of adipoyl chloride with 1,2,3-trimethoxybenzene according to the literature. From (2,3,4-trimethoxyphenyl)(2-(2,3,4-trimethoxyphenyl)cyclopent-1-en-1-yl)methanone (4) of them, four new 1,2-disubstituted cyclopentane derivatives (10-13) with phenyl and benzyl units were synthesized by reactions such as hydrazonation, catalytic hydrogenation and bromination. The obtained compounds 4-13 were examined for their in vitro inhibitory activity against acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and α-glucosidase enzymes. All compounds 4-13 showed inhibition at nanomolar level with Ki values in the range of 45.53 ± 7.35-631.96 ± 18.88nM for AChE, 84.30 ± 9.92-622.10 ± 35.14nM for BChE, and 25.47 ± 4.46-48.87 ± 7.33 for α-Glu. In silico molecular docking studies of the potent compounds were performed in the active sites of AChE (PDB: 1E66), BChE (PDB: 1P0I), and α-glucosidase (PDB: 5ZCC) to compare the effect of bromine atom on the inhibition mechanism. The optimized molecular structures, HOMO-LUMO energies and molecular electrostatic potential maps for the compounds were calculated by using density functional theory with B3LYP/6-31 + G(d,p).

Cobalt-Catalyzed Borylative Reduction of Azobenzenes to Hydrazobenzenes via a Diborylated-Hydrazine Intermediate.

Cobalt-catalyzed borylative reduction of azobenzenes using pinacolborane is developed. The simple cobalt chloride catalyst and reaction conditions make this protocol attractive for hydrazobenzene synthesis. This borylative reduction shows good functional group compatibility and can be readily scaled up to the gram scale. Preliminary mechanistic studies clarified the proton source of the hydrazine products. This cobalt-catalyzed azobenzene borylative reaction provides a practical protocol to prepare synthetically useful diborylated hydrazines.

On the role of the porous support membrane in seawater reverse osmosis membrane synthesis, properties and performance

In this study, we explore the role of the polysulfone (PSU) support membrane skin-layer and whole-body pore morphology on the physical-chemical properties and separation performance of hand-cast polyamide-PSU (PA-PSU) composite seawater reverse osmosis (SWRO) membranes. We tailor the support membrane pore morphology by varying the PSU concentration and the coagulation bath temperature. In order to isolate the impacts of the PSU support, all of the porous supports are coated using identical m-phenylene diamine (MPD) and trimesoyl chloride (TMC) solution compositions, reaction conditions, and post-treatments. As PSU concentration increases, PSU support membrane pore size, surface and body porosity, water permeability, MPD mass uptake (by the PSU support), and PA-PSU composite membrane water permeability decrease, while MPD and TMC conversion, PA film mass and thickness, crosslinking degree (XD), and PA-PSU composite membrane NaCl rejection increase. As PSU support membrane coagulation bath temperature increases, support membrane pore size, surface and body porosity, MPD uptake, PA film mass, thickness and XD, MPD and TMC conversion, and NaCl rejection increase, while composite PA-PSU membrane water and NaCl permeability decrease. Composite membrane permeabilities were 70–90 percent of the (theoretical) unsupported PA film permeabilities due to the high XD and low PA coating film thickness. Composite PA-PSU membrane water/salt permeabilities both correlate most strongly with PA coating film mass/thickness and XD, which in turn correlate most strongly with TMC conversion. The key to increasing water permeability is lower PA film mass/thickness and XD with higher support membrane surface pore size and porosity. In contrast, the key to increasing NaCl rejection is higher PA film mass/thickness and XD with lower support membrane surface pore size and porosity.

Greener spectrophotometric and HPLC investigation of CNS agent pregabalin: Taguchi model and box-behnken design for method parameters optimization

In the current study, two analytical methods are developed using spectrophotometry and high performance liquid chromatography for the determination of pregabalin in pharmaceutical preparations. Box-Behnken Design model was adopted to ease the optimization process. The visible spectrophotometric method is based on the reaction of potassium ferricyanide and ferric chloride in an acidic medium and measured absorbed at 700 nm. The HPLC method utilizes ammonium formate buffer solution and RP18 base deactivated silica (BDS) column for the quantitative analysis of pregabalin. The calibration plot was found to be linear in the range of 1.5–26.2 and 0.4–17.6 µg/mL for spectrophotometric and HPLC methods. BBD is a powerful statistical experiment design for optimizing reaction conditions that minimize the number of experiments and the cost of the method. Response Surface Methodology (RSM) via Box–Behnken design (BBD) optimized the chromatographic procedure. The Greenness of the methods were also evaluated by considering the Analytical Greenness Metric Approach. Method I attained a score of 0.74, while method II scored 0.59, suggesting an excellent and considerable level of eco-friendliness. Moreover, it is economical, consumes a minimum amount of organic solvent, and has good accuracy and precision.

Enhancing the chloride ion penetration resistance of concrete using metal-organic frameworks

This study focuses on a novel technique to improve the resistance of cement-based concrete to chloride ion penetration by incorporating NH2-MIL-125(Ti) metal-organic frameworks (MOF) into the mix. The MOF was produced and assessed against its chloride adsorption capacity. Subsequently, it was added to cement-based concrete in proportions of 1 %, 3 %, and 5 %, by cement mass. The effect of incorporating MOF on the concrete resistance to chloride penetration, reaction kinetics, and compressive strength was investigated. The experimental results revealed that the NH2-MIL-125 (Ti) MOF effectively removed/adsorbed the chloride ions from sodium chloride solutions, with a maximum removal capacity of 31.5 % after 7 days of exposure. Furthermore, the depth and rate of chloride ion penetration into the concrete were reduced as the mass of MOF incorporated into the concrete mix increased. Yet, the efficiency of the MOF to reduce chloride penetration decreased over time, owing to its saturation by continuous exposure to chloride ions. Furthermore, the addition of up to 5 % MOF, by cement mass, had a limited impact (<10 %) on the concrete compressive strength but did not affect the hydration reaction. Owing to its small particle size, MOF strengthened the cement paste by reducing the volume of permeable voids. Such research findings highlight that MOF could be added to cement-based concrete to enhance its resistance to chloride ingress without significantly impacting its compressive strength. This novel approach can effectively impede chloride penetration, thereby delaying corrosion and extending the service life of concrete structures.

Novel Aryl Thioamides Derivatives as Insect Growth Regulators Analogues against Spodoptera littoralis (Lepidoptera: Noctuidae): Design, Synthesis, Insecticidal Activity and Biochemical Impacts.

A significant reason for developing innovative insecticidal active agents is the exponential rise in resistance to traditional chemical pesticides. Exploring new classes of insecticidal compounds with distinct mechanisms of action is one way to address this difficulty. So that, novel aryl thioamides derivatives 3-15 has been synthesized viaone-pot, three-component reaction of aroyl chloride, ammonium thiocyanate, and aromatic amines in dry acetone. The newly synthesized compounds' structures were validated by various spectroscopic methods, including elemental analysis, 1H-NMR, 13C NMR, and infrared spectroscopy. Under laboratory circumstances, the synthesized compounds showed good and broad-spectrum insecticidal activities toward S. littorali. When compared to other synthetic target compounds, 2,4-dichloro-N-[(3-fluorophenyl)carbamothioyl]benzamide 11, 2,4-dichloro-N-[(3-fluorophenyl)carbamothioyl]benzenecarbothioamide 13 showed good insecticidal activity, with 46.33 mg/L and LC50 values of 49.25 mg/L for 2nd instar larvae. Furthermore, the compound 3 was the least toxic in controlling the second and fourth instar larvae of S. littoralis on tomato leaves. Additionally, several histopathological and biochemical features of the some synthesized compounds under laboratory circumstances were also examined.