5505-49-7

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InChI:InChI=1/C2H6/c1-2/h1-2H3/i1D

Upstream product

• 74-85-1 ethene 
• 925-93-9 ethyl [2]alcohol 
• 74-86-2 acetylene 
• 106-97-8 n-butane 
• 109-66-0 pentane 
• 7698-05-7 hydrogen chloride 
• 13043-82-8 acetyl propionyl peroxide 
• 463-82-1 2,2-dimethylpropane 
• 74-84-0 ethane 
• 115-10-6 Dimethyl ether 
• 75-28-5 Isobutane 

Relevant academic research and scientific papers

MgO-Supported Iridium Metal Pair-Site Catalysts Are More Active and Resistant to CO Poisoning than Analogous Single-Site Catalysts for Ethylene Hydrogenation and Hydrogen-Deuterium Exchange

Atomically dispersed supported catalysts are drawing wide attention because they offer properties different from those of conventional catalysts, with maximally efficient use of the metals. However, the performance of single-site catalysts is often limited by the lack of neighboring metal centers to cooperate in catalysis. Thus, there is motivation to extend this class to catalysts incorporating isolated metal pairs. We report pairs of iridium atoms on MgO initially stabilized by support oxygen and cyclooctadiene ligands and activated by the removal of the latter. These catalysts are stable in a range of environments, including CO, H2, and C2H4 + H2 at 298-353 K and are more active than analogous single-site catalysts in ethylene hydrogenation and hydrogen-deuterium exchange because the neighboring metal centers facilitate hydrogen activation. Moreover, the pair-site catalysts retain activity even in the presence of CO, which poisons the single-site analogues. Supported metal pair-site catalysts open pathways toward understanding and applications of supported molecular catalysts.

Electronic Metal-Support Interaction in Pt Catalysts under Deuterium-Ethene Reaction Conditions and the Microscopic Nature of the Active Sites

The electronic states and the nature of active sites of Pt/Y2O3, Pt/ZrO2, Pt/V2O3, and Pt/TiO2 in the working state were investigated by X-ray absorption near-edge structure (XANES) spectroscopy, kinetics, and isotope-tracing techniques.The density of the unoccupied 5d state of Pt decreased as the reduction temperature of catalysts increased, but its degree strongly depended on the nature of support.High-temperature reduction of Pt/ZrO2 and Pt/Y2O3 decreased the unoccupied d density of Pt more than TiO2 and Nb2O5, probably because the reduced region of support was restricted in the vicinity of the Pt particles.The unoccupied d density of Pt on V2O3 was independent of the reduction temperature due to the metallic nature of the support.For this catalyst, the decoration by the support oxide occurred by the reduction at 773 K.The d states of Pt were largely modified under the D2-ethene reaction conditions as proved by XANES.The electrons of Pt on ZrO2 were removed by absorbed ethene, being negatively charged, while Pt on Y2O3 behaved as an electron acceptor, leaving a positive charge on ethene.The nature of the active sites was also characterized by the D profile of ethane in the D2-ethene reaction.Pt/TiO2 reduced at 773 K had two kinds of sites with different surface H/D ratios under working conditions - it was suggested that one was the bare metal site of Pt mainly producing ethane-d2 and the other was the peripheral site of TiOx islands producing ethane-d0.The active site of Pt/V2O3 reduced at 773 K had oxide nature, suggesting that Pt particles may be completely covered with VOx.

A bifunctional mechanism for ethene dimerization: Catalysis by rhodium complexes on zeolite HY in the absence of halides

No ligands needed: Rhodium complexes supported on HY zeolite catalyze the formation of C - C bonds by a new mechanism involving cooperation between the metal species and Bronsted acid sites of the zeolite support (see picture). The catalyst operates in the absence of ligands such as halides and shows high selectivity to n-butenes, even in an excess of H2. Copyright

Thermal decomposition of acetyl propionyl peroxide in acetone-d6

The kinetics of thermolysis of acetyl propinyl peroxide in acetone-d 6 in the temperature range 323-373 K was studied using NMR spectroscopy and the effect of chemically induced nuclear polarization. The peroxide decomposes in acetone at rates comparable with the rates of thermolysis in alcohols, yielding numerous products. In the examined temperature range, the solvent molecules act as efficient donors of deuterium atoms, forming acetylmethyl-d5 radicals which recombine to a significant extent with the peroxide radicals. A scheme of the processes involved in decomposition of the peroxide was suggested. The parameters of the Arrhenius equation for the peroxide decomposition were determined. 2004 MAIK "Nauka/ Interperiodica".

A NMR method for the analysis of mixtures of alkanes with different deuterium substitutions

13C NMR at 125.76 MHz with 1H and 2H decoupling, 2H NMR at 76.77 MHz with 1H decoupling, and 1H NMR at 500.14 MHz with 2H decoupling were employed as analytical tools to study the complex mixtures of deuterated ethanes resulting from the catalytic H-D exchange of normal ethane with gas-phase deuterium in the presence of a platinum foil. Reference samples consisting of 1:1 binary mixtures of pure normal ethane and ethane-dn (n = 1-6) were used to identify the peak positions in the 13C, 2H, and 1H NMR spectra due to each individual isotopomer, and the effect of isotopic substitution on the chemical shifts was determined in each case. While the NMR of all three nuclei worked well for the identification of the individual components of the 1:1 standard mixtures, both 1H and 2H NMR suffered from inadequate resolution when studying complex reaction mixtures because of the broadening of the lines due to 1H-1H (1H NMR) and 2H-2H (2H NMR) couplings. 13C NMR was therefore determined to be the method of choice for the quantitative analysis of the reaction mixtures. Using the 13C NMR results, a correlation that takes into account the primary and secondary isotope substitution effects on chemical shifts was deduced. This equation was used for the identification of the individual components of the mixtures, and integration of the individual observed resonances was then employed for quantification of their composition. This study shows that 13C NMR with 1H and 2H decoupling is a viable procedure for studying mixtures of deuterated ethanes. Furthermore, the additivity of the isotopic effects on chemical shifts and the transferability of the values obtained with ethane to other molecules makes this approach general for the analysis of other isotopomer mixtures.

Evidence for the activation of unstrained carbon-carbon bonds by bare transition-metal ions M+ (M = Fe, Co) without prior C-H bond activation

The metastable ion (MI) decompositions of RNH2/M+ complexes (R = (C2H5)2CHCH2, C2H5C(CH3)2CH2; M - Fe, Co) in the gas phase have been studied by tandem mass spectrometry with a four-sector instrument of BEBE configuration. The analyses of the MI spectra of isotopically labeled complexes uncover processes which inter alia demonstrate that the loss of C4H8 corresponds to a reaction in which site-specific oxidative addition of an unstrained C-C bond to the anchored transition-metal ion M+ takes place without prior C-H bond activation. The intramolecular methyl migration preceding the elimination of C4H8 is subject to a secondary kinetic isotope effect of kH/kD = 1.33 for M+ = Fe+ and kH/kD = 1.15 for M+ = Co+ per D atom. Additional processes observed correspond to the generation of molecular hydrogen, methane, ethylene and ethane. All reactions are highly specific, and mechanisms are suggested that are in keeping with the labeling data. For example, both H2 and C2H4 are formed via remote functionalization involving the ω/ (ω - 1) positions of the ethyl side chain of the amines. Ethane contains an intact ethyl group, and one hydrogen is provided via specific β-hydrogen transfer which does not involve the chemically activated CH2NH2 group. This methylene group is also inert with regard to the reductive elimination of methane from CH3CH2C(CH3)2CHNH 2/Co+. According to the labeling experiments, the intermediate from which CH4 is lberated contains an intact CH3 group that originates from the quaternary carbon center; the missing hydrogen atom is provided to roughly the same amount by both the second CH3 group of C(2) and the CH2 unit of the ethyl group. Again, the -CH2NH2 part does not serve as a hydrogen source for CH4.

Local reaction environments and their properties for ethene deuterogenation on the surfaces of SMSI catalysts

Ethene deuterogenation and H2-D2 exchange reaction over Nb2O5-supported Rh and Ir catalysts have been investigated in relation to strong metal-support interaction (SMSI) phenomena.The activation energies for these reactions were considerably changed by high-temperature reduction of the catalyst in the case of Ir/Nb2O5, but were not modified in the case of Rh/Nb2O5.The change is ascribed to a reduction in the energy barrier for deuterium dissociation.The deuterium distribution in ethane formed during ethene deuterogenation was also investigated at various reaction temperatures and as a function of the reduction time of the catalyst.By studying the catalysts in their working state instead of by static adsorption measurements two kinds of active sites in different environments are suggested to exist on the surface of these catalysts in the SMSI states.One of the sites (site I) is on the bare metal surface and the other (site II) is on the perimeter of a migrating NbOx island.The surface isotropic ratio of hydrogen during ethene deuterogenation is different at sites I and II.Site I, on which D2 dissociates, acts as a deuterium supply for site II.A model for the deuterogenation of ethene on the SMSI catalysts is proposed.

Reactions of FeCH2(+) and CoCH2(+) with Aliphatic Alkanes in the Gas Phase. Activation of C-H and C-C Bonds by Naked Transition-Metal Carbene Ions

Gas-phase reactions of the title carbenes with several aliphatic alkanes using Fourier transform mass spectrometry (FTMS) ,are described.CoCH2(+) reacts with alkanes larger than methane whereas FeCH2(+) reacts with alkanes larger than ethane.Both FeCH2(+) and CoCH2(+) react predominantly by initial C-H bond insertion with some C-C bond insertion also observed.As a consequence of facile carbene-alkyl coupling, C-C bond cleavage processes proceed predominantly with elimination of the original carbene incorporated into the departing alkane neutral.In addition a small amount of C-C bond formation product is also observed.Finally, a greater degree of H/D scrambling is observed for CoCD2(+) than for FeCD2(+).

Hydrogenation of Ethylene over Platinum (111) Single-Crystal Surfaces

The hydrogenation of ethylene with both hydrogen and deuterium was studied(111) platinum single-crystal surfaces under a total pressure of 110 torr and a temperature range of 300-370 K.An activation energy (Ea) of 10.8 +/- 0.1 kcal/mol and kinetic orders with respect to hydrogen and ethylene partial pressure of 1.31 +/- 0.05 and -0.60 +/- 0.05, respectively, were observed.The deuterium atom distribution in the product from the reaction with D2 peaks at 1-2 deuterium atoms per ethane molecule produced, similar to what has been reported for supported catalysts.The reaction takes place on a partially ordered carbon covered surface, where the carbonaceous deposits have a morphology similar to that of ethylidyne.However, this ethylidine does not directly participate in the hydrogenation of ethylene, since both its hydrogenation and its deuterium exchange are much slower than the ethane production.A mechanism is proposed to explain the experimental results.

Hydrogenation of Ethylene on Metal Electrodes. Part 5. Reduction of Light Ethylene on Pt in Deuteroperchloric Acid Solution and the Dual-pathway Mechanism

Electroreduction of light ethylene on a platinum electrode was conducted in a heavy-water solution of deuteroperchloric acid.Deuterium-atom distributions in the product, ethane, support the previous conclusion that ethylene diffusion is rate-controlling at potentials less positive than ca. 100 mV, whereas the surface reaction is rate-controlling at more positive potentials where the Tafel line holds.The D-atom distribution in the latter potential region reveals double maxima at - and -ethanes.This distribution is explained by the dual-pathway mechanism which assumes two reaction rates for the step C2H4(a) + H(a) C2H5(a).The difference in the reaction rate will be attributed to the difference in the adsorption state of C2H4(a) but not of H(a), since only the weakly adsorbed hydrogen atoms are active in the hydrogenation.Reduction of light ethylene with D2 on platinum in deuteroperchloric acid solution gives the same results.A computer simulation based on the above mechanism can reproduce quantitatively not only the present distributions but also others given in the literature, even those observed for the gas-phase heterogeneous reduction.