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Cas Database

74-85-1

74-85-1

Identification

  • Product Name:Ethylene

  • CAS Number: 74-85-1

  • EINECS:200-815-3

  • Molecular Weight:28.0538

  • Molecular Formula: C2H4

  • HS Code:2901210000

  • Mol File:74-85-1.mol

Synonyms:Acetene;Athylen;Bicarburretted hydrogen;Elayl;Etileno;HSDB 168;Liquid ethylene;Olefiant gas;UNII-91GW059KN7;Ethylene, pure;

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Safety information and MSDS view more

  • Pictogram(s):HighlyF+

  • Hazard Codes: F+:Highly flammable;

  • Signal Word:Danger

  • Hazard Statement:H220 Extremely flammable gasH336 May cause drowsiness or dizziness

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled Fresh air, rest. Artificial respiration may be needed. Refer for medical attention. In case of skin contact Remove contaminated clothes. Rinse and then wash skin with water and soap. In case of eye contact First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Moderate concentration in air causes drowsiness, dizziness, and unconsciousness. Overexposure causes headache, drowsiness, muscular weakness. (USCG, 1999)Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases. (ERG, 2016)SYMPTOMS: Acute exposure to this compound can produce irritation of eyes, nose, throat, mucous membranes and the upper respiratory tract. ACUTE/CHRONIC HAZARDS: This compound emits acrid fumes and smoke when heated to decomposition. It is an irritant of mucous membranes and the upper respiratory tract. Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aliphatic hydrocarbons and related compounds/

  • Fire-fighting measures: Suitable extinguishing media To fight fire, stop flow of gas, use CO2, alcohol foam or dry chemical. Special Hazards of Combustion Products: Vapors are anesthetic. Behavior in Fire: Container may explode. (USCG, 1999)Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. Vapors from liquefied gas are initially heavier than air and spread along ground. CAUTION: Hydrogen (UN1049), Deuterium (UN1957), Hydrogen, refrigerated liquid (UN1966) and Methane (UN1971) are lighter than air and will rise. Hydrogen and Deuterium fires are difficult to detect since they burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket. (ERG, 2016)This chemical is combustible. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Evacuate danger area! Ventilation. Remove all ignition sources. Turn off gas at source if possible. Personal protection: chemical protection suit including self-contained breathing apparatus. Spills on land: Contain if possible, by forming mechanical and/or chemical barriers to prevent spreading.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Fireproof. Separated from strong oxidants.Store in cool dry, well-ventilated location. Protect against static electricity and lightning. Isolate from oxidizing materials, halogens, and other combustibles.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

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Relevant articles and documentsAll total 2860 Articles be found

Stable and selective electrochemical reduction of carbon dioxide to ethylene on copper mesocrystals

Chen, Chung Shou,Handoko, Albertus D.,Wan, Jane Hui,Ma, Liang,Ren, Dan,Yeo, Boon Siang

, p. 161 - 168 (2015)

Stable and selective electrochemical reduction of carbon dioxide to ethylene was achieved using copper mesocrystal catalysts in 0.1 M KHCO3. The Cu mesocrystal catalysts were facilely derived by the in situ reduction of a thin CuCl film during the first 200 seconds of the CO2 electroreduction process. At -0.99 V vs. RHE, the Faradaic efficiency of ethylene formation using these Cu mesocrystals was ~18× larger than that of methane and forms up to 81% of the total carbonaceous products. Control CO2 reduction experiments show that this selectivity towards C2H4 formation could not be replicated by using regular copper nanoparticles formed by pulse electrodeposition. High resolution transmission electron microscopy reveals the presence of both (100)Cu facets and atomic steps in the Cu mesocrystals which we assign as active sites in catalyzing the reduction of CO2 to C2H4. CO adsorption measurements suggest that the remarkable C2H4 selectivity could be attributed to the greater propensity of CO adsorption on Cu mesocrystals than on other types of Cu surfaces. The Cu mesocrystals remained active and selective towards C2H4 formation for longer than six hours. This is an important and industrially relevant feature missing from many reported Cu-based CO2 reduction catalysts.

Effects of thickness extension mode resonance oscillation of acoustic waves on catalytic and surface properties. IV. Activation of a Ag catalyst for ethanol decomposition by overtone resonance frequencies

Saito,Inoue

, p. 2040 - 2045 (2003)

The effects of resonance frequencies of acoustic waves on catalytic and surface properties were studied. The overtone resonance frequencies of 3.5, 10.8, and 17.9 MHz were applied to a 100 nm thick Ag catalyst deposited on a ferroelectric z-cut LiNbO3 crystal which generated thickness extension mode resonance oscillation (TERO). For ethanol decomposition, the TERO enhanced ethylene production without significant changes in acetaldehyde production for all the frequencies. The extent of catalyst activation strongly depended on the resonance frequency. In a low power region (1.0 W), it increased in the order 3.5 > 10.8 > 17.9 MHz. The activation energy for ethylene production decreased remarkably in the presence of TERO, the extent of which strongly depended on the frequency. Laser Doppler measurements showed that with increasing resonance frequency, the number of standing waves increased markedly, whereas the amplitudes of the wave decreased considerably. The specific catalytic activity, defined as the activity enhancement per the density of wave, increased in a nonlinear manner with lattice displacement. The resonance frequency effects of TERO on catalyst activation are discussed.

Beadle et al.

, p. 265,266-269 (1972)

Letter: Catalytic electrochemical reduction of acetylene in the presence of a molybdenum-cysteine complex.

Ledwith,Schultz

, p. 6591 - 6593 (1975)

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Ring Size and Strain as a Control of Reaction Selectivity: Ethylene Sulfide on Mo(110)

Roberts, Jeffrey T.,Friend, C. M.

, p. 7899 - 7900 (1987)

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Role of Exposed Surfaces on Zinc Oxide Nanostructures in the Catalytic Ethanol Transformation

Morales, María V.,Asedegbega-Nieto, Esther,Iglesias-Juez, Ana,Rodríguez-Ramos, Inmaculada,Guerrero-Ruiz, Antonio

, p. 2223 - 2230 (2015)

For a series of nanometric ZnO materials, the relationship between their morphological and surface functionalities and their catalytic properties in the selective decomposition of ethanol to yield acetaldehyde was explored. Six ZnO solids were prepared by a microemulsion-precipitation method and the thermal decomposition of different precursors and compared with a commercial sample. All these materials were characterized intensively by XRD and SEM to obtain their morphological specificities. Additionally, surface area determinations and IR spectroscopy were used to detect differences in the surface properties. The density of acid surface sites was determined quantitatively using an isopropanol dehydration test. Based on these characterization studies and on the results of the catalytic tests, it has been established that ZnO basal surfaces seem to be responsible for the production of ethylene as a minor product as well as for secondary reactions that yield acetyl acetate. Furthermore, one specific type of exposed hydroxyl groups appears to govern the surface catalytic properties.

Reaction of the ethyl radical with oxygen at millitorr pressures at 243-368 K and a study of the Cl + HO2, ethyl + HO2, and HO2 + HO2 reactions

Dobis, Otto,Benson, Sidney W.

, p. 8798 - 8809 (1993)

Ethyl radicals formed in the reaction of C2H6 + Cl are allowed to react with molecular oxygen in a very low pressure reactor (VLPR) experimental flow system over the temperature range of 243-368 K. Mass spectrometric analysis of reactants and products made possible the determination of rate constants (cm3/(molecule·-s)) of all major reaction steps. Mass balances for C, H, and Cl are good to ±4% on average. The elementary steps are the following: C2H5 + O2 → HO2 + C2H4, k6 = (1.42 ± 0.38) × 10-17 exp[(5064 ± 154)/RT], measured independently from recording C2H5 consumption or C2H4 formation rates; 2HO2 → H2O2, k7 = (4.50 ± 0.56) × 10-13 exp[(1064 ± 77)/RT]; C2H5 + HO2 → H2O2 + C2H4, k8a = (2.98 ± 0.11) × 10-12; Cl + HO2 → HCl + O2, k9 = (4.45 ± 0.06) × 10-11. Activation energies are given in cal/mol. Reactions 8a and 9 show no change in the temperature range of measurements, while reactions 6 and 7 both have negative temperature dependence. The radical oxidation reaction 6 is suggested to occur via excited ethylperoxy and 2-hydroperoxyethyl radical formations as consecutive reversible steps.

NEW PATHWAYS IN LASER INDUCED THERMAL GAS-PHASE CHEMISTRY

Pola, J.

, p. 607 - 616 (1990)

Various cw CO2 laser-induced reactions in the presence of energy conveying SF6 are shown to proceed in a specific way due to the absence of heterogeneous stages that are very difficult to avoid in normal hot wall reactors.Truly homogeneous courses are reported for some dehydrochlorinations, oxidations of perhaloalkenes with molecular oxygen, and decomposition of representatives of amines, nitroalkanes and perfluorinated, bridged and unsaturated derivatives of carboxylic acids.

Rice,Herzfeld

, p. 284 (1934)

High selectivity for ethylene from carbon dioxide reduction over copper nanocube electrocatalysts

Roberts, F. Sloan,Kuhl, Kendra P.,Nilsson, Anders

, p. 5179 - 5182 (2015)

Nanostructured surfaces have been shown to greatly enhance the activity and selectivity of many different catalysts. Here we report a nanostructured copper surface that gives high selectivity for ethylene formation from electrocatalytic CO2 reduction. The nanostructured copper is easily formed in situ during the CO2 reduction reaction, and scanning electron microscopy (SEM) shows the surface to be dominated by cubic structures. Using online electrochemical mass spectrometry (OLEMS), the onset potentials and relative selectivity toward the volatile products (ethylene and methane) were measured for several different copper surfaces and single crystals, relating the cubic shape of the copper surface to the greatly enhanced ethylene selectivity. The ability of the cubic nanostructure to so strongly favor multicarbon product formation from CO2 reduction, and in particular ethylene over methane, is unique to this surface and is an important step toward developing a catalyst that has exclusive selectivity for multicarbon products. Cubic nanostructures formed on a polycrystalline copper surface give high selectivity for ethylene formation from carbon dioxide electroreduction. The nanocubes are easily synthesized in situ, and online electrochemical mass spectrometry is used to compare the reactivity to other copper single-crystal surfaces.

Cross-metathesis vs. silylative coupling of vinyl alkyl ethers with vinylsilanes catalyzed by a ruthenium-carbene complex (Grubbs catalyst)

Marciniec,Kujawa,Pietraszuk

, p. 671 - 675 (2000)

Grubbs complex, (PCy3)2Cl2Ru=CHPh (I) is a very effective catalyst of the cross-disproportionation of vinyl-trisubstituted silanes H2C=CHSiR3 [where R3 = Me3, PhMe2, (OEt)3] with vinyl alkyl ethers H2C=CHOR' [where R' = ethyl, propyl, butyl, t-butyl, t-pentyl, 2-(ethyl)hexyl, cyclohexyl, trimethylsilyl] to yield a mixture of (E + Z) 1-silyl-2-alkoxyethenes. The reaction occurs quantitatively under milder conditions (60 °C) than the analogous one catalyzed by Ru-H and/or Ru-Si complexes reported previously (80 °C). The stoichiometric reaction of (I) and (PCy3)2Cl2Ru=CH2 (III) with vinyl ethyl ether leads to the formation of (PCy3)2Cl2Ru=CH(OEt) (II), inactive in the stoichiometric reaction with vinylsilanes but very active in the catalytic process. Experiments with the use of deuterated vinylsilanes indicate the non-metallacarbene mechanism of the reaction and provide evidence for the initiation of Ru-H bond formation via the hydrovinylation with vinylsilanes.

Identification and active site analysis of the 1-aminocyclopropane-1- carboxylic acid oxidase catalysing the synthesis of ethylene in Agaricus bisporus

Meng, Demei,Shen, Lin,Yang, Rui,Zhang, Xinhua,Sheng, Jiping

, p. 120 - 128 (2014)

Background 1-Aminocyclopropane-1-carboxylate oxidase (ACO) is a key enzyme that catalyses the final step in the biosynthesis of the plant hormone ethylene. Recently, the first ACO homologue gene was isolated in Agaricus bisporus, whereas information concerning the nature of the ethylene-forming activity of this mushroom ACO is currently lacking. Methods Recombinant ACO from A. bisporus (Ab-ACO) was purified and characterised for the first time. Molecular modelling combined with site-directed mutagenesis and kinetic and spectral analysis were used to investigate the property of Ab-ACO. Results Ab-ACO has eight amino acid residues that are conserved in the Fe (II) ascorbate family of dioxygenases, including four catalytic residues in the active site, but Ab-ACO lacks a key residue, S289. In comparison to plant ACOs, Ab-ACO requires ACC and Fe (II) but does not require ascorbate. In addition, Ab-ACO had relatively low activity and was completely dependent on bicarbonate, which could be ascribed to the replacement of S289 by G289. Moreover, the ferrous ion could induce a change in the tertiary, but not the secondary, structure of Ab-ACO. Conclusions These results provide crucial experimental support for the ability of Ab-ACO to catalyse ethylene formation in a similar manner to that of plant ACOs, but there are differences between the biochemical and catalytic characteristics of Ab-ACO and plant ACOs. General significance This work enhances the understanding of the ethylene biosynthesis pathways in fungi and could promote profound physiological research of the role of ethylene in the regulation of mushroom growth and development.

Porter

, p. 827 (1957)

Methane conversion to ethylene over GaN catalysts. Effect of catalyst nitridation

Dutta, Kanchan,Chaudhari, Vishnu,Li, Chao-Jun,Kopyscinski, Jan

, (2020)

Vast availability of natural and shale gases makes methane a reliable source for synthesizing valuable chemical building blocks such as ethylene. A new stable supported GaN/SBA15 catalyst from an emerging class of nitride catalysts was reported for the direct non-oxidative methane coupling to ethylene. The effect of nitridation on the catalyst properties and activity was investigated. The optimum nitridation temperatures were 700 °C and 750 °C for the GaN/SBA15 and the unsupported GaN catalyst, respectively. Supported catalysts were more stable and had 5–10 times higher product (ethylene) formation rates per gram of gallium than the unsupported catalysts due to the higher surface area (>320 vs. 2 g?1) and Ga-dispersion inside the pores. Compared to the oxide precursors, the nitrides exhibited a higher atom conversion efficiency for the CH4 carbon leading to higher ethylene selectivity (71 % for GaN/SBA15, 2O3/SBA15) and lower coke selectivity (27 % for GaN/SBA15, 40 % for Ga2O3/SBA15).

Calorimetric Study of Vanadium Pentoxide Catalysts Used in the Reaction of Ethane Oxidative Dehydrogenation

Le Bars, J.,Vedrine, J. C.,Auroux, A.,Pommier, B.,Pajonk, G. M.

, p. 2217 - 2221 (1992)

Vanadium pentoxide catalysts have been studied in the partial oxidation reaction of ethane in the 723-843 K temperature range.The relationship between the acid-base properties and the catalytic behavior was investigated.The number and character of acidic sites of V2O5 catalysts were determined by studying the adsorption of a basic molecule using microcalorimetry.The reducibility level and the evolution of the surface state, as well as the heat evolved, were studied by using a pulse method with pure ethane only.The reaction of ethane oxidative dehydrogenation was studied by a continuous flow method and the activation energies for the formation of C2H4 and CO were calculated.The selectivity of the catalyst was interpreted in connection with the acid-base properties.The strong sites were observed to decrease rapidly with time on stream, although the catalysts were still active.Temperature-programmed reduction of V2O5 using a TG-DSC coupling was also investigated with hydrogen, ethylene, or ethane as reducers.The different heats of reduction are given.It was observed that C2H4 is a much more efficient reducing agent than H2 and C2H6.Following each reduction, reoxidation studies by oxygen were performed in the same equipment showing clearly different steps in the reoxidation process.

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Clapp,Woodward

, p. 1019 (1938)

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Rate Constant and Product Branching for the Vinyl Radical Self Reaction at T = 298 K

Thorn, R. P.,Payne, W. A.,Stief, L. J.,Tardy, D. C.

, p. 13594 - 13602 (1996)

The rate constant and product branching for the self reaction of C2H3 has been measured using the discharge-flow kinetic technique coupled to mass spectrometric detection at T = 298 K and 1 Torr nominal pressure (He).C2H3 is produced by the reaction of F with C2H4, which also forms C2H3F + H.In addition to the C2H3 self reaction, C2H3 also decays by reaction with H and by wall loss processes.The result obtained by parameter fitting the C2H3 decay curves was k(C2H3 + C2H3) = (1.41 +/- 0.60)E-10 cm3 molecule-1 s-1, where k is defined by d/dt = 2k2.Results from the product studies showed that the recombination product 1,3-butadiene was not observed at 1 Torr and that the ratio product formed/0 was 0.65 +/- 0.14 for the combined C2H3 + C2H3 and C2H3 + H reactions.Both observations are consistent with C2H2 + C2H4 being the exclusive C2H3 + C2H3 products, since the maximum yield of C2H2 from the combined C2H3 + C2H3 and C2H3 + H reactions is 0.59.The experimental observations that k1 is independent of pressure and that no 1,3-butadiene (product of C2H3 combination) is observed at 1 Torr pressure requires a mechanism in which the chemically activated 1,3-butadiene undergoes a unimolecular reaction.It is postulated that the 1,3-butadiene first isomerizes to cyclobutene, which then unimolecularly decomposes to C2H2 and C2H4.Although the former reaction is well documented, the latter reaction has not been previously reported.RRKM calculations predict a pressure dependence similar to what is experimentally observed.

[Li2{CH2S(O)Ph}2(TMEDA)2] - An α-sulfinyl-functionalized methyllithium carbenoid Dedicated to Professor Manfred Scheer on the occasion of his 60th birthday.

Ludwig, Gerd,Str?hl, Dieter,Schmidt, Harry,Steinborn, Dirk

, p. 30 - 33 (2015)

The aggregation state of the α-sulfinyl-functionalized methyllithium compound [Li2{CH2S(O)Ph}2(TMEDA)2] (1) in solution and its carbenoid reactivity is presented. Temperature dependent NMR measurements of 1 in THF-d8 revealed the presence of an intermolecular dynamic process (dimer-monomer-dimer equilibrium) with a Gibbs free energy of activation of about 45 kJ/mol. 1H DOSY NMR measurements exhibited that in THF-d8 solution the coligand TMEDA is partially cleaved off. Furthermore, the decomposition of 1 in THF-d8 (room temperature, 96 h) led to the formation of ethylene and PhSSPh. In refluxing toluene 1 decomposed with formation of ethylene, PhSSPh, xylenes, ethylbenzene, n-propylbenzene and isopropylbenzene. The dimerizing α-elimination yielding ethylene and the C-H insertion reactions observed in boiling toluene give proof of a carbenoid reactivity of 1.

Boron-doped CuO nanobundles for electroreduction of carbon dioxide to ethylene

Wan, Qiang,Zhang, Jianling,Zhang, Bingxing,Tan, Dongxing,Yao, Lei,Zheng, Lirong,Zhang, Fanyu,Liu, Lifei,Cheng, Xiuyan,Han, Buxing

, p. 2750 - 2754 (2020)

Novel boron-doped CuO nanobundles are designed for CO2 reduction to the single multi-carbon product of ethylene, and their faradaic efficiency can reach 58.4% with a current density of 18.2 mA cm-2. This active, selective and simply prepared electrocatalyst provides a promising electrocatalyst candidate for CO2 reduction to ethylene.

Kinetics of the CH2CH2Cl ? C2H4 + Cl reaction

Knyazev, Vadim D.

, p. 3216 - 3221 (1999)

The kinetics of the unimolecular decomposition of the CH2CH2Cl radical has been studied experimentally in a heated tubular flow reactor coupled to a photoionization mass spectrometer. Rate constants for the decomposition were determined in time-resolved experiments as a function of temperature (400-480 K) and bath gas density ([He] = (3-24) × 1016 atoms cm-3). The rate constants are close to the low-pressure limit under the conditions of the experiments. Ab initio and master equation modeling are applied to analyze both the experimental data and literature data on the reverse reaction: the addition of Cl atom to ethylene. On the basis of the results of this modeling, parametrized expressions for the temperature and pressure dependencies of the rate constants for both the direct and the reverse reactions are provided.

Ag-Ni bimetallic SiBEA zeolite as an efficient catalyst of hydrodechlorination of 1,2-dichloroethane towards ethylene

?r?bowata,Zielińska,Baran,S?owik,Dzwigaj

, p. 154 - 160 (2015)

Dealuminated form of BEA zeolite with Si/Al ratio of 1500 was used for the synthesis of Ag2.0SiBEA, Ni2.0SiBEA and Ag2.0Ni2.0SiBEA by two-step postsynthesis method. The calcination of zeolite samples led to the formation of well dispersed isolated mononuclear Ag(I) and Agnδ + clusters and a pseudo-tetrahedral Ni(II), incorporated in BEA framework as evidenced by DR UV-vis investigations. The treatment of samples in flowing 10% H2/Ar stream gave small (average 3.1 nm) and well dispersed metal nanoparticles. Reduced catalysts were investigated in 1,2-dichloroethane hydrodechlorination at atmospheric pressure, at low reaction temperature (523 K) with ~ 100% of selectivity to ethylene, desired product of the reaction.

Weak Collision Effects in the Reaction C2H5 C2H4 + H

Feng, Y.,Niiranen, J. T.,Bencsura, A.,Knyazev, V. D.,Gutman, D.,Tsang, W.

, p. 871 - 880 (1993)

The unimolecular decomposition of C2H5 in helium has been investigated near the low-pressure limit (T = 876 - 1094 K; P = 0.8 - 14.3 Torr).Rate constants (k1) have been determined as a function of temperature and pressure in the indicated ranges in time-resolved experiments.The reaction was isolated for quantitative study in a heated tubular reactor coupled to a photoionization mass spectrometer.Weak collision effects (fall-off behavior) were analyzed using a master equation analysis.Values of (ΔE)down for the exponential down energyloss probability were obtained for each experiment performed.The microcanonical rate constants, k1(E), needed to solve the master equation were obtained from a transition state model for the reaction which is described.The temperature dependence of these (ΔE)down determination was apparent and fits the expression (ΔE)down = 0.255T1.0(+/-0.1) cm-1.It is shown that this expression (derived from experiments conducted between 876 and 1094 K) provides a reasonable representation of observed weak collison effects in helium down to 285 K.Values for (ΔE)down for C2H5 decomposition in other bath gases were obtained by reexamining published data on the fall-off of the C2H5 unimolecular rate constant in N2, SF6, and C2H6.The experimental results and data simulations were used to obtain a parametrized expression for k1(T,M), the low-pressure limit rate constant for C2H5 decomposition in helium (200 - 1100 K); k10 = 6.63 x 109T-4.99 exp(-20,130 K/T) cm3 molecule-1 s-1.Prior published experiments on both the forward and reverse reactions (C2H5 + (M) C2H4 + H + (M)) in the fall-off region were reevaluated and used in conjunction with an RRKM model of the transition state to obtain a new recommended expression for the high-pressure limit rate constant for the temperature range 200 - 1100 K, k1 = 1.11 x 1010T1.037 exp(-18,504/T)s-1.Parametrization of the density and temperature dependence of k1 in helium according to the modified Hinshelwood expression introduced by Gilbert et al. is provided.

Methyl vinyl glycolate as a diverse platform molecule

S?lvh?j, Amanda,Taarning, Esben,Madsen, Robert

, p. 5448 - 5455 (2016)

Methyl vinyl glycolate (methyl 2-hydroxybut-3-enoate, MVG) is available by zeolite catalyzed degradation of mono- and disaccharides and has the potential to become a renewable platform molecule for commercially relevant catalytic transformations. This is further illustrated here by the development of four reactions to afford industrially promising structures. Catalytic homo metathesis of MVG using Grubbs-type catalysts affords the crystalline dimer dimethyl (E)-2,5-dihydroxyhex-3-enedioate in excellent yield and with meso stereochemical configuration. Cross metathesis reactions between MVG and various long-chain terminal olefins give unsaturated α-hydroxy fatty acid methyl esters in good yields. [3,3]-Sigmatropic rearrangements of MVG also proceed in good yields to give unsaturated adipic acid derivatives. Finally, rearrangement of the allylic acetate of MVG proceeds in acceptable yield to afford methyl 4-acetoxycrotonate.

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Domanitzki

, (1916)

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From vanadia nanoclusters to ultrathin films on TiO2(110): Evolution of the yield and selectivity in the ethanol oxidation reaction

Artiglia, Luca,Agnoli, Stefano,Savio, Letizia,Pal, Jagriti,Celasco, Edvige,Rocca, Mario,Bondino, Federica,Magnano, Elena,Castellarin-Cudia, Carla,Netzer, Falko P.,Granozzi, Gaetano

, p. 3715 - 3723 (2014)

Oxide-on-oxide systems are becoming increasingly important in nanocatalysis and surface engineering, because of the creation of hybridized interfaces holding high reactivity and selectivity toward oxidation reactions. Here we report on the results of a multitechnique surface science study conducted on an oxide/oxide model system. By depositing increasing amounts of vanadium oxide (VOx) on a titanium dioxide-rutile(110) substrate, we were able to follow the morphology and oxidation state of the overlayer. Three growth modes were detected: nanoclusters at low coverage (0.3 and 0.5 monolayer), one-dimensional strands aligned along the substrate [001] direction at monolayer coverage, and three-dimensional nanoislands at higher coverage (2.0 and 5.0 monolayers). All these structures share the same oxidation state (V2O3). We studied the reactivity and selectivity of these model catalysts toward partial oxidation of ethanol, finding that both of them depend on the VOx thickness. Nanoclusters can yield acetaldehyde through low-temperature oxidative dehydrogenation but show a scarce selectivity in the investigated temperature range. The monolayer coverage is the most reactive toward ethanol dehydration to ethylene, showing also good selectivity. Similar results are found at high coverage, although the overall reactivity of the systems toward alcohol oxidation decreases.

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Sheridan,Reid

, p. 2962 (1952)

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Ring opening reaction dynamics in the reaction of hydrogen atoms with ethylene oxide

Shin, S. K.,Jarek, R. L.,Boehmer, E.,Wittig, C.

, p. 6615 - 6624 (1994)

Ethylene oxide, C2H4O, is a three-membered ring with a single oxygen atom bridging the two carbons.Reactions of H and D atoms with ethylene oxide have been studied in the gas phase to provide insight into the dynamics of three-membered ring opening.H atoms were produced by photolyzing HI in the wavelength range 240-266 nm.The channel leading to OH+C2H4 was monitored via laser-induced fluorescence (LIF) of the OH A 2Σ 2Π system.The D atom reaction yields OD with no hydrogen scrambling.With an available energy of 23 000 cm-1, the average OH D rotational energy is ca. 350 cm-1 for OH(ν=0) and OD(ν=0) and ca. 250 cm-1 for OD(ν=1).OH(ν=1) was not observed, while the OD(ν=1) population was about one-tenth that of OD(ν=0).There was no apparent bias in populations between Λ doublets in each of the spin-orbit states for both OH and OD.Doppler broadening of OH(ν=0) rotational lines was measured to evaluate the average center-of-mass (c.m.) translational energy, which was found to be ca. 2300 cm-1.On average, the ring opening process deposits ca. 10percent of the available energy into c.m. translation, ca. 2percent into OH rotation, and ca. 88percent into ethylene internal energy.Comparison with CH2CH2OH unimolecular dissociation dynamics and theoretical transition state calculations leads to a likely mechanism in which hydrogen abstracts oxygen via sequential C-O bond fission without involving a long-lived CH2CH2OH intermediate.

Oxidative coupling of methane to form ethylene: Effect of the preparation method on the phase composition and catalytic properties of Li-W-Mn-O-SiO2 composite materials

Dedov,Loktev,Nipan,Dorokhov,Golikov,Spesivtsev,Moiseev

, p. 163 - 168 (2015)

Production of ethylene by oxidative coupling of methane (OCM) is a promising direct path from methane to ethylene. Li-W-Mn-O-SiO2 composite materials prepared by various methods - solid-phase synthesis, silica impregnation, sol-gel synthesis - are used as OCM catalysts. The phase states of these composite materials prepared by the different methods has been studied before and after use in the OCM reaction; the study has unexpectedly revealed the effect of the preparation technique on the phase composition of the material and the specific features of its catalytic behavior in OCM. Optimum catalysts provide an ethylene yield of 15% in terms of passed methane.

METATHESIS OF VINYLTRIALKOXYSILANES

Marciniec, Bogdan,Gulinski, Jacek

, p. C19 - C21 (1984)

Ruthenium(II) and ruthenium(III) complexes have been found to be the first efficient catalysts for the metathesis of organosilicon olefins. trans-1,2-Bis(triethoxysilyl)ethene is prepared via metathesis of vinyltriethoxysilane catalyzed by ruthenium complexes with a yield above 80percent.

FACTORS AFFECTING GAS-PHASE CONTINUOUS WAVE INFRARED LASER SENSITIZED PYROLYSIS.

Zhu,Yeung

, p. 2184 - 2188 (1988)

A model is developed for predicting temperature profiles in a gas cell containing an absorbing gas when irradiated by a CW laser beam with well-defined parameters. The model takes into account the explicit temperature dependence of heat capacities, thermal conductivities, molar absorptivities, and gas densities. The predicted transmittance of the laser beam as a function of incident power agrees with experimental values. The model is further used to predict rate parameters of a standard homogeneous pyrolysis reaction that is sensitized by the heated gas. The results provide insight into the comparison between the traditional thermal processes and CW laser sensitized pyrolysis.

Kinetic and process study of ethanol steam reforming over Ni/Mg(Al)O catalysts: The initial steps

Zeng, Guangming,Li, Yongdan,Olsbye, Unni

, p. 312 - 322 (2016)

In this work, a 2 wt.% Ni/Mg(Al)O catalyst was subjected to kinetic studies for the ethanol steam reforming (ESR) reaction at 500 °C, with space-time ranging from 0.03 to 0.50 mg min/ml and with PC2H5OH:PH2O:PInert = 0.0163:0.0500:0.93 (atm) as standard conditions. The results indicate that dehydrogenation and dehydration of ethanol were the predominant reactions. CH3CHO and C2H4 were primary products and formed in parallel on different active sites. H2O and C2H5OH competed for the same active sites on the catalyst surface and the reaction order with respect to H2O was negative. The apparent activation energy for ethanol conversion was 110 kJ/mol. Furthermore, temperature-programmed desorption experiments confirmed the competing adsorption of C2H5OH and H2O. Temperature-programmed deuteration of used catalyst showed that the catalyst contained C2H4, CHx, acetate and carbonate species during ESR reaction.

-

Kyrides,Dvornikoff

, p. 4630 (1933)

-

Control of Surface Barriers in Mass Transfer to Modulate Methanol-to-Olefins Reaction over SAPO-34 Zeolites

Gao, Mingbin,Li, Hua,Liu, Zhongmin,Peng, Shichao,Yang, Miao,Ye, Mao

, p. 21945 - 21948 (2020)

Mass transfer of guest molecules has a significant impact on the applications of nanoporous crystalline materials and particularly shape-selective catalysis over zeolites. Control of mass transfer to alter reaction over zeolites, however, remains an open challenge. Recent studies show that, in addition to intracrystalline diffusion, surface barriers represent another transport mechanism that may dominate the overall mass transport rate in zeolites. We demonstrate that the methanol-to-olefins (MTO) reaction can be modulated by regulating surface permeability in SAPO-34 zeolites with improved chemical liquid deposition and acid etching. Our results explicitly show that the reduction of surface barriers can prolong catalyst lifetime and promote light olefins selectivity, which opens a potential avenue for improving reaction performance by controlling the mass transport of guest molecules in zeolite catalysis.

Felice, Vincenzo de,Ganis, Paolo,Vitagliano, Aldo,Valle, Giovanni

, p. 57 - 62 (1988)

The Gas-phase Amino-Claisen Rearrangement of Protonated N-Allylaniline

Kingston, Eric E.,Beynon, John H.,Vandezonneville, Alexandra,Flammang, Robert,Maquestiau, Andre

, p. 437 - 442 (1988)

Metastable molecular protonated ions of N-allylaniline dissociate with significant losses of ethene and ammonia in the flight path of a mass spectrometer.The structures of the daughter ions formed on the loss of ethene have been elucidated using collision-induced dissociation and it is postulated that two isomeric structures are formed, one corresponding to molecular protonated ions which have undergone an amino-Claisen rearrangement.The relative proportion of this rearranged species is dependent on the exothermicity of the proton-transfer reaction between the sample molecule and the chemical ionization reagent gas ion.It is proposed that the two isomeric parent species differ in the site of protonation.

Sigmatropic -Hydrogen Migration in a 1-Silapropene

Yeh, Ming-Hsiung,Linder, Loren,Hoffman, David K.,Barton, Thomas J.

, p. 7849 - 7851 (1986)

-

Ammoxidation of Ethane to Acetonitrile over Metal-Zeolite Catalysts

Li, Yuejin,Armor, John N.

, p. 511 - 518 (1998)

Ammoxidation of ethane to acetonitrile was studied over a variety of metal ion exchanged zeolite catalysts. We discovered that ethane can be efficiently converted to acetonitrile over some Cozeolite catalysts. The type of zeolite is very important. In this regard, ZSM-5, beta, and NU-87 are superior to others. Among various transition metal cations, Co2+ is most active for acetonitrile formation. Kinetic studies on Co-ZSM-5 show that the nitrile formation rate is first order in NH3, 0.5 order in C2H6, and 0.8 order in O2. In the absence of O2, no reaction occurs. A reaction scheme is proposed, whereby C2H4, a reactive intermediate, is thought to add to a strongly adsorbed NH3 forming an adsorbed ethylamine, which is subsequently dehydrogenated to form C2H3N.

Wheeler,Blair

, (1924)

A Laser Flash Photolysis, Time-Resolved Fourier Transform Infrared Emission Study of the Reaction Cl + C2H5 -> HCl(υ) + C2H4

Seakins, Paul W.,Woodbridge, Eric L.,Leone, Stephen R.

, p. 5633 - 5642 (1993)

The atom-radical reaction Cl + C2H5 -> HCl(υ) + C2H4 is studied using laser flash photolysis, time-resolved Fourier transform infrared emission spectroscopy and broad band infrared chemiluminescence.The Cl atoms and ethyl radicals are produced from a number of different precursors using one or two lasers.The initial HCl vibrational distribution is determined to be HCl (υ=1/2/3/4=0.39+/-0.04/0.29+/-0.03/0.22+/-0.02/0.10+/-0.02).The vibrational distribution is characteristic of an addition-elimination mechanism and can be reproduced using modified statistical theories of energy partitioning within the (excit.) intermediate.The time evolution of the HCl(υ=4) emission is used to estimate a rate coefficient for this reaction of (3.0+/-1.0)*10-10 cm3 molecule-1 s-1.

Gas-Phase Ion Chemistry of TiCl4 and CH3TiCl3. Reaction of CH3TiCl2+ with Ethylene

Uppal, Jack S.,Johnson, Douglas E.,Staley, Ralph H.

, p. 508 - 511 (1981)

TiCl4+ and TiCl3+ are the principal ions produced by electron-impact ionization of TiCl4.Both react with TiCl4 to give Ti2Cl7+.Reactions of this and other species of the form TiCl3(ligand)+ allow the determination of an order of relative ligand binding energies to TiCl3+ of MeF+ than TiCl4.Study of halide-transfer and proton-transfer reactions leads to determination of the thermochemical results: D(TiCl3+-Cl-) = 217+/-11 kcal/mol, D(TiCl3+-F-) = 254+/-4 kcal/mol, and PA(TiCl4) = D(TiCl4-H+) = 157+/-11 kcal/mol.Chloride transfer from CH3TiCl3 to TiCl3+ yields CH3TiCl2+ as the major ion at intermediate times in the ion chemistry of CH3TiCl3.CH3TiCl2+ reacts with C2H4 to give C3H5TiCl2+ with H2 elimination.C3H5TiCl2+ does not react further with ethylene.With C2D4, HD elimination predominates (>85percent).A mechanism involving insertion of C2D4 into the Ti,C bond in CH3TiCl2+ followed by 1,2-elimination of HD at the β- and γ-carbons is inferred.This demonstrates carbon-carbon bond formation and chain growth in a Zigler-Natta catalyst site model system, but this gas-phase bimolecular process does not lead to continued polymerization because disposal of the excess internal energy of the complex results in chain termination by unimolecular decomposition.

Reaction of Dichloroethane and Oxygen on a Rough Silver Surface

Gu, X. J.,Akers, K. L.,Moskovits, M.

, p. 3696 - 3700 (1991)

Electron energy loss spectroscopy (EELS) results indicate that dichloroethane physisorbs at 55 K on rough, coldly deposited silver.By contrast surface-enhanced Raman scattering (SERS) spectroscpoy reveals that a large fraction of the adsorbed dichloroethane decomposes into ethylene and chlorine on the same type of surface at 55 K and above.With postadsorption of oxygen, dichloroethane or its decomposition products oxidize at temperatures equal to or greater than 140 K, forming products that include a species with a carbonyl group that is either bonded directly to chlorine, as in phosgene or oxalyl chloride, or to a metal atom with chlorine nearby.No hydrogen is bonded sufficiently closely to the CO group in the species to cause a deuterium shift.A second oxidation product is also detected containing an OH group.These reactions occur exclusively at the SERS-active sites and are undetected by EELS.We therefore conclude that SERS and EELS probe different surface sites.EELS seems to be the more globally sensitive technique, and SERS appears to be sensitive to fewer but chemically more reactive sites.This may be due either to the fact that these chemically reactive sites are located at "interior" portions of the surface, i.e., in valleys and pits located among surface features where, it has been suggested, the electromagnetic enhancement is unusually large, or to the extra enhancement that sometimes accompanies chemisorption resulting from the increase of the Raman polarizability of the surface complex, or perhaps to both effects.Whatever the reason, it appears that SERS is uniquely sensitive to those sites where the most interesting chemistry occurs on silver.These may also be the catalytically most important sites.

Sen Sharma,Kebarle

, p. 5826 (1978)

Observation of ethylsilylene product in the infrared multiphoton dissociation of ethylsilane

Francisco, J. S.,Villanueva, J. L.,Reck, G.

, p. 820 - 821 (1991)

-

Unravelling the Enigma of Nonoxidative Conversion of Methane on Iron Single-Atom Catalysts

Chang, Chun-Ran,Duan, Zeng-Hui,Li, Jun,Li, Teng-Hao,Li, Wan-Lu,Liu, Jin-Cheng,Liu, Yuan,Wang, Yang-Gang,Xiao, Hai,Yan, Ming,Zhang, Tian-Yu

, p. 18586 - 18590 (2020)

The direct, nonoxidative conversion of methane on a silica-confined single-atom iron catalyst is a landmark discovery in catalysis, but the proposed gas-phase reaction mechanism is still open to discussion. Here, we report a surface reaction mechanism by computational modeling and simulations. The activation of methane occurs at the single iron site, whereas the dissociated methyl disfavors desorption into gas phase under the reactive conditions. In contrast, the dissociated methyl prefers transferring to adjacent carbon sites of the active center (Fe1SiC2), followed by C?C coupling and hydrogen transfer to produce the main product (ethylene) via a key ?CH?CH2 intermediate. We find a quasi Mars–van Krevelen (quasi-MvK) surface reaction mechanism involving extracting and refilling the surface carbon atoms for the nonoxidative conversion of methane on Fe1SiO2 and this surface process is identified to be more plausible than the alternative gas-phase reaction mechanism.

Hine,Brader

, p. 3964 (1953)

Chatt,Duncanson

, p. 2939,2946 (1953)

PHOTOINDUCED DECOMPOSITION OF FUSARIC ACID WITH THE LOSS OF ETHYLENE

Klochkov, S. G.,Dubrovskaya, E. S.,Vasin, Yu. A.

, p. 1097 (1992)

-

Yokota et al.

, p. 1758,1759-1761 (1975)

Infrared-induced reaction on MoO3 using a tunable infrared free electron laser

Moula, Golam,Sato, Shinsuke,Irokawa, Katsumi,Niimi, Hironobu,Suzuki, Shushi,Asakura, Kiyotaka,Kuroda, Haruo

, p. 836 - 842 (2008)

We observed the IR-induced reaction of C2H5OH on MoO3 using a pulsed and tunable infrared free electron laser (IR-FEL). The IR-FEL-induced reaction showed wavelength dependency and requires light stronger than a certain threshold level. The C2H5OH was converted mainly to C2H4 only when the MoO3 was irradiated with focused IR-FEL at 967 and 814 cm-1 corresponding to Mo=O stretching modes, whereas IR light at 1200 cm-1 induced no reaction. The origin of this IR-FEL-induced reaction is discussed.

Photochemical reactions in alkali halide matrix, decarboxylation of maleic acid into ethylene by uranyl nitrate in a pressed potassium bromide disk

Mehta, B. K.,Dubey, Avinash,Gupta, K. C.,Bokadia, M. M.

, p. 591 - 594 (1983)

The feasibility of quantitative photochemical reactions of organic compounds in the solid alkali halide disk, usually used for the study of infrared spectroscopy has been explored.The disks were prepared by mixing maleic acid, uranyl nitrate and potassium bromide.Ultraviolet light was used for the irradiation of disk and the products were identified by infrared spectroscopy.It has been observed that the rate of reaction increases with time of irradiation.The results indicate that the ethylene and uranyl (VI) complex of carboxylate are formed with the decarboxylation of maleic acid, sensitized by uranyl nitrate.

C?C Coupling Is Unlikely to Be the Rate-Determining Step in the Formation of C2+ Products in the Copper-Catalyzed Electrochemical Reduction of CO

Chang, Xiaoxia,Li, Jing,Lu, Qi,Xiao, Hai,Xiong, Haocheng,Xu, Bingjun,Xu, Yifei,Zhang, Haochen

supporting information, (2021/12/03)

The identity of the rate-determining step (RDS) in the electrochemical CO reduction reaction (CORR) on Cu catalysts remains unresolved because: 1) the presence of mass transport limitation of CO; and 2) the absence of quantitative correlation between CO partial pressure (pCO) and surface CO coverage. In this work, we determined CO adsorption isotherms on Cu in a broad pH range of 7.2–12.9. Together with electrokinetic data, we demonstrate that the reaction orders of adsorbed CO at pCO 0.6 atm are 1st and 0th, respectively, for multi-carbon (C2+) products on three Cu catalysts. These results indicate that the C?C coupling is unlikely to be the RDS in the formation of C2+ products in the CORR. We propose that the hydrogenation of CO with adsorbed water is the RDS, and the site competition between CO and water leads to the observed transition of the CO reaction order.

Efficient Polyester Hydrogenolytic Deconstruction via Tandem Catalysis

Kratish, Yosi,Marks, Tobin J.

supporting information, (2021/12/22)

Using a mechanism-based solvent-free tandem catalytic approach, commodity polyester plastics such as polyethylene terephthalate (PET), polybutylene terephthalate (PBT), and polyethylene naphthalate (PEN) are rapidly and selectively deconstructed by combining the two air- and moisture-stable catalysts, Hf(OTf)4 and Pd/C, under 1 atm H2, affording terephthalic acid (or naphthalene dicarboxylic acid for PEN) and ethane (or butane for PBT) in essentially quantitative yield. This process is effective for both laboratory grade and waste plastics, and comingled polypropylene remains unchanged. Combined experimental and DFT mechanistic analyses indicate that Hf(OTf)4 catalyzes a mildly exergonic retro-hydroalkoxylation reaction in which an alkoxy C?O bond is first cleaved, yielding a carboxylic acid and alkene, and this process is closely coupled to an exergonic olefin hydrogenation step, driving the overall reaction forward.

Investigation on the Thermal Cracking and Interaction of Binary Mixture of N-Decane and Cyclohexane

Chen, Xuejiao,Pang, Weiqiang,Wang, Bo,Zhang, Ziduan,Zhou, Lingxiao,Zhu, Quan

, (2022/03/02)

Abstract: The investigation about the thermal cracking performance and interaction of different components in hydrocarbon fuels is of great significance for optimizing the formulation of high-performance hydrocarbon fuels. In this work, thermal cracking of n-decane, cyclohexane and their binary mixture were studied in a tubular reactor under different temperatures and pressures. The gas and liquid products were analyzed in detail with different gas chromatography. The main gas products of pure n-decane and cyclohexane are similar, and there is a certain difference in the main liquid products. For binary mixture, the overall conversion rate and gas yield are lower than their theoretical value. The cracking conversion rate of n-decane in binary mixture is lower than that in pure n-decane, but the opposite change occurs for cyclohexane, and the effect become more obvious as the increase of the reaction pressure. These experimental phenomena can be explained by bond dissociation energy and free radical reaction mechanism. The pressure affects the free radical reaction path, and high pressure is more conducive to bimolecular hydrogen abstraction reaction, which will lead to different product content. A law of interaction between the n-decane and cyclohexane was observed according to the experimental results. [Figure not available: see fulltext.]

Nanoconfinement Engineering over Hollow Multi-Shell Structured Copper towards Efficient Electrocatalytical C?C coupling

Li, Jiawei,Liu, Chunxiao,Xia, Chuan,Xue, Weiqing,Zeng, Jie,Zhang, Menglu,Zheng, Tingting

supporting information, (2021/12/06)

Nanoconfinement provides a promising solution to promote electrocatalytic C?C coupling, by dramatically altering the diffusion kinetics to ensure a high local concentration of C1 intermediates for carbon dimerization. Herein, under the guidance of finite-element method simulations results, a series of Cu2O hollow multi-shell structures (HoMSs) with tunable shell numbers were synthesized via Ostwald ripening. When applied in CO2 electroreduction (CO2RR), the in situ formed Cu HoMSs showed a positive correlation between shell numbers and selectivity for C2+ products, reaching a maximum C2+ Faradaic efficiency of 77.0±0.3 % at a conversion rate of 513.7±0.7 mA cm?2 in a neutral electrolyte. Mechanistic studies clarified the confinement effect of HoMSs that superposition of Cu shells leads to a higher coverage of localized CO adsorbate inside the cavity for enhanced dimerization. This work provides valuable insights for the delicate design of efficient C?C coupling catalysts.

Impact of composition and structural parameters on the catalytic activity of MFI type titanosilicalites

Bruk, Lev,Chernyshev, Vladimir,Khramov, Evgeny,Kravchenko, Galina,Kustov, Aleksander,Kustov, Leonid,Kuz'Micheva, Galina,Markova, Ekaterina,Pastukhova, Zhanna,Pirutko, Larisa

, p. 3439 - 3451 (2022/03/14)

Titanosilicalite of the MFI type was obtained via a hydrothermal method. Its initial and annealed at 75 °C (TS-1P(75)) and 500 °C (TS-1P(500)) forms were studied by X-ray powder diffraction (PXRD), X-ray absorption spectroscopy (XAS-method), Fourier-transform infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), temperature-programmed ammonia desorption (TPD NH3), and pyridine adsorption (Py). The full-profile Rietveld method allowed us to observe the presence of the organic template tetrapropylammonium hydroxide (TPAOH) in the framework voids, as well as to determine the silicate module (Si/Ti = 73.5) and the distribution of Ti4+ ions over the MFI-type structure sites (Ti atoms replace Si ones in two positions: T1 and T6). The coordination numbers of titanium (CNTi = 4.6 for TS-1P and TS-1P(75), CNTi = 3.8 for TS-1P(500)) were established by the XAS-method. The catalytic activity of titanosilicalites was found in the reactions of nitrous oxide decomposition (the maximal decomposition rate is demonstrated for the TS-1P(75) sample), allyl chloride epoxidation to epichlorohydrin (the best combination of all indicators was exhibited for the TS-1P sample) and propane conversion (maximum propane conversion, and butadiene and propylene selectivity were observed in both TS-1P(75) and TS-1P(500) samples). Mechanisms for the catalytic processes are proposed. The relationship between the catalytic properties and the composition (Si/Ti), Ti4+ ion distribution over the MFI-type structure sites, the local environment of titanium ions, and the number of acid sites in the titanosilicalites are discussed.

Process route upstream and downstream products

Process route

3-methyltetrahydrofuran
13423-15-9

3-methyltetrahydrofuran

2-methyltetrahydrofuran
96-47-9

2-methyltetrahydrofuran

ethene
74-85-1

ethene

Conditions
Conditions Yield
bei der Einw. von Sonnenlicht;
tetrahydro-2-phenylfuran
16133-83-8

tetrahydro-2-phenylfuran

hexane
110-54-3

hexane

propyl sodium
15790-54-2

propyl sodium

ethene
74-85-1

ethene

2,3-diphenyl-2,3-butanediol
1636-34-6

2,3-diphenyl-2,3-butanediol

1-Phenylethanol
98-85-1,13323-81-4

1-Phenylethanol

acetophenone
98-86-2

acetophenone

Conditions
Conditions Yield
weiteres Produkt: Propan;
1,1-dimethylsilacyclobutane
2295-12-7

1,1-dimethylsilacyclobutane

acrylic acid methyl ester
292638-85-8,9003-21-8,96-33-3

acrylic acid methyl ester

1,1,3,3-tetramethyl-1,3-disiletane
1627-98-1

1,1,3,3-tetramethyl-1,3-disiletane

ethene
74-85-1

ethene

ethyl trimethylsilyl ether
1825-62-3

ethyl trimethylsilyl ether

Hexamethyldisiloxane
107-46-0

Hexamethyldisiloxane

Hexamethylcyclotrisiloxane
541-05-9

Hexamethylcyclotrisiloxane

Conditions
Conditions Yield
With sulfur(VI) hexafluoride; Product distribution; Irradiation; other monomers;
3-methyl-2-ethoxypyridine
83766-89-6

3-methyl-2-ethoxypyridine

3-Methyl-1H-pyridin-2-one
1003-56-1

3-Methyl-1H-pyridin-2-one

ethene
74-85-1

ethene

Conditions
Conditions Yield
at 396.6 ℃; Kinetics; Thermodynamic data; pyrolysis, other temperature, Arrhenius parameters;
Conditions
Conditions Yield
With (per)acetylperoxyboric acid; hydrogen; oxygen; at 480 ℃; Mechanism;
4.3 % Chromat.
11.0 % Chromat.
18.7 % Chromat.
12.2 % Chromat.
18.9 % Chromat.
18.0 % Chromat.
Conditions
Conditions Yield
With air; Cd-Sn-P-O; at 515 ℃; under 760 Torr; Mechanism; Product distribution; other catalyst, vari. of reagebt composition, of temperature; selectivity to styrene conversion investigated;
67%
5%
5-methyl-2-ethoxypyridine
83766-91-0

5-methyl-2-ethoxypyridine

5-methyl-2-pyridone
1003-68-5

5-methyl-2-pyridone

ethene
74-85-1

ethene

Conditions
Conditions Yield
at 396.8 ℃; Thermodynamic data; Rate constant; pyrolysis, other temperature, Arrhenius parameters;
spiro[2.5]octane
185-65-9

spiro[2.5]octane

vinylcyclohexane
695-12-5,25498-06-0

vinylcyclohexane

ethene
74-85-1

ethene

ethylidenecyclohexane
1003-64-1

ethylidenecyclohexane

Conditions
Conditions Yield
With propene; argon; sulfur(VI) hexafluoride; at 442.9 ℃; for 0.194444h; Product distribution; Mechanism; Irradiation; laser-powdered decomposition; Teff 716 to 793 K;
spiro[2.5]octane
185-65-9

spiro[2.5]octane

vinylcyclohexane
695-12-5,25498-06-0

vinylcyclohexane

ethane
74-84-0

ethane

ethene
74-85-1

ethene

ethylidenecyclohexane
1003-64-1

ethylidenecyclohexane

Conditions
Conditions Yield
at 176.9 ℃; for 0.75h; Product distribution; Mechanism; also laser-powdered decomposition;
ethyl iodide
75-03-6

ethyl iodide

ethane
74-84-0

ethane

ethene
74-85-1

ethene

hydrogen iodide
10034-85-2

hydrogen iodide

Conditions
Conditions Yield
mit UV-Licht; Produkt5: Wasserstoff.Irradiation;
at 25 ℃; mit Licht (lambda: 253.7 mmy); weitere Produkte: Methan und Wasserstoff.Irradiation;
at 25 ℃; mit Licht (lambda: 202.6 mmy); weitere Produkte: Methan und Wasserstoff.Irradiation;
Photolysis;

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