463-49-0Relevant articles and documents
Crossed-beam reaction of carbon atoms with hydrocarbon molecules. I. Chemical dynamics of the propargyl radical formation, C3H3 (X2B2), from reaction of C(3Pj) with ethylene, C2H4(X1/Ag)
Kaiser,Lee,Suits
, p. 8705 - 8720 (1996)
The reaction between ground-state carbon atoms, C(3Pj), and ethylene, C2H4(X1Ag), was studied at average collision energies of 17.1 and 38.3 kJmol-1 using the crossed molecular beams technique. Product angular distributions and time-of-flight spectra of m/e=39 were recorded. Forward-convolution fitting of the results yields a maximum energy release as well as angular distributions consistent with the formation of the propargyl radical in its X2B2 state. Reaction dynamics inferred from the experimental data indicate two microchannels, both initiated by attack of the carbon atom to the π-orbital of the ethylene molecule via a loose, reactant like transition state located at the centrifugal barrier. Following Cs symmetry on the ground state 3A″ surface, the initially formed triplet cyclopropylidene complex rotates in a plane roughly perpendicular to the total angular momentum vector around its C-axis, undergoes ring opening to triplet allene, and decomposes via hydrogen emission through a tight transition state to the propargyl radical. The initial and final orbital angular momenta L and L′ are weakly coupled and result in an isotropic center-of-mass angular distribution. A second microchannel arises from A-like rotations of the cyclopropylidene complex, followed by ring opening and H-atom elimination. In this case, a strong L-L′ correlation leads to a forward-scattered center-of-mass angular distribution. The explicit identification of C3H3 under single collision conditions represents a single, one-step mechanism to build up hydrocarbon radicals. Our findings strongly demand incorporation of distinct product isomers of carbon atom-neutral reactions in reaction networks simulating chemistry in combustion processes, the interstellar medium, as well as in outflows of carbon stars, and open the search for the hitherto unobserved interstellar propargyl radical.
Kunichika et al.
, p. 1082 (1969)
Selenium- and tellurium-containing binucleophiles in selective synthesis of allene and methylacetylene from 2,3-dichloro-1-propene
Levanova,Vakhrina,Grabel'Nykh,Russavskaya,Albanov,Rozentsveig,Korchevin
, p. 164 - 165 (2014)
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Propyne Pyrolysis in a Flow Reactor: An Experimental, RRKM, and Detailed Kinetic Modeling Study
Davis, Scott G.,Law, Chung K.,Wang, Hai
, p. 5889 - 5899 (1999)
The pressure-dependent rate coefficients for several reactions relevant to propyne pyrolysis were determined with ab initio quantum mechanical calculations and Rice - Ramsperger - Kassel - Marcus (RRKM) analyses. These reactions include the mutual isomerization of propyne and allene, the chemically activated reactions of propyne and allene with the H atom and of acetylene with methyl on the C3H5 potential energy surface. Propyne pyrolysis was experimentally studied in a flow reactor at 1210 K and 1 atm. A detailed reaction mechanism, employing the current RRKM rate coefficients, is shown to accurately predict the experimental acetylene and methane profiles determined in the flow reactor and literature shock-tube data of propyne and allene pyrolysis up to 1500 K.
James,Troughton
, p. 145 (1966)
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Jacobs et al.
, p. 6254,6257 (1955)
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On the photodissociation of propadienylidene, l-C3H2
Gross, Christoph,Noller, Bastian,Fischer, Ingo
, p. 5196 - 5201 (2008)
We investigate the photochemistry and photodissociation dynamics of the linear C3H2 isomer propadienylidene by two-colour photofragment Doppler spectroscopy at excitation wavelengths between 260 and 230 nm, corresponding to excitatio
Effect of Central Substituents on the Gas-Phase Acidities of Propenes
Bartmess, John E.,Burnham, Robert D.
, p. 1382 - 1387 (1984)
The gas-phase acidities of a number of 2-substituted propenes have been measured by using ICR spectrometry.The acidities are rationalized in terms of structural effects on both acid and anion forms.MNDO calculations reproduce the acidities to +/-4.2 kcal/mol and provide information on the interaction of the ? orbitals of substituent and acid.
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Lord,Venkateswarlu
, p. 1237,1239 (1952)
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Shimp,Lagow
, p. 1343 (1973)
Reactions of 2,3-dichloro-1-propene with sulfur and tellurium in the system hydrazine hydrate-KOH
Levanova,Grabel'Nykh,Russavskaya,Klyba,Zhanchipova,Albanov,Tarasova,Korchevin
, p. 1097 - 1101 (2009)
2,3-Dichloro-1-propene reacts with sulfur dissolved in the system hydrazine hydrate-KOH (with formation of K2S2 or K2S) to afford bis(2-chloro-1-propene-3-yl)sulfide as the main product in both cases. Under similar conditions tellurium induces β-elimination of both chlorine atoms resulting in the formation of allene and complete regeneration of tellurium metal.
The gas-phase pyrolysis of 2,2-dinitropropane: Shock-tube kinetics
Zhang, Yi-Xue,Bauer
, p. 1217 - 1225 (2000)
The thermal decomposition of 2,2-dinitropropane (DNP) was studied in a shock tube at 970-1200 K, under high dilution in argon at 4.5-5.5 atm. The decay of DNP and the production of NO2 were followed spectrophotometrically at 280 and 405 nm, respectively. The major products were CO, NO, CO2, acetone, CH3C≡H, CH2=C=CH2, CH3CN, CH3OH, CH4, H2O, and CH2O. The first step in the decomposition was C-NO2 bond fission. However, the temporal profiles of NO2 during the decomposition were different from those recorded during the decompositions of CH3NO2 or 2-nitropropane, thus pointing to distinctive features in the mechanism. A complation of 90 elementary steps was proposed. Sensitivity analysis of the mechanism showed that only 57 steps were essential to describe the overall pyrolysis. H,OH, NO2. HCO, and HNO played critical roles in the decomposition.
Effect of the chalcogen nature on the reaction of propane-1,3- dichalcogenolates with 2,3-dichloroprop-1-ene
Levanova,Grabel'Nykh,Vakhrina,Russavskaya,Albanov,Klyba,Korchevin,Rozentsveig
, p. 6 - 12 (2014)
The direction of the reaction of propane-1,3-dichalcogenolates with 2,3-dichloroprop-1-ene in the system hydrazine hydrate-KOH depends not only on the conditions but to a greater extent on the chalcogen nature. Dipotassium propane-1,3-dithiolate and propane-1,3-diselenolate give rise to products of substitution of the chlorine atom on the sp 3-carbon atom, which are capable of undergoing further transformations (domino reaction). Dipotassium propane-1,3-ditellurolate promotes elimination of both chlorine atoms with formation of allene.
Isomerization and Selective Hydrogenation of Propyne: Screening of Metal-Organic Frameworks Modified by Atomic Layer Deposition
Hackler, Ryan A.,Pandharkar, Riddhish,Ferrandon, Magali S.,Kim, In Soo,Vermeulen, Nicolaas A.,Gallington, Leighanne C.,Chapman, Karena W.,Farha, Omar K.,Cramer, Christopher J.,Sauer, Joachim,Gagliardi, Laura,Martinson, Alex B. F.,Delferro, Massimiliano
, p. 20380 - 20389 (2020/11/27)
Various metal oxide clusters upward of 8 atoms (Cu, Cd, Co, Fe, Ga, Mn, Mo, Ni, Sn, W, Zn, In, and Al) were incorporated into the pores of the metal-organic framework (MOF) NU-1000 via atomic layer deposition (ALD) and tested via high-throughput screening
Cobalt-Iron-Manganese Catalysts for the Conversion of End-of-Life-Tire-Derived Syngas into Light Terminal Olefins
Falkenhagen, Jan P.,Maisonneuve, Lise,Paalanen, Pasi P.,Coste, Nathalie,Malicki, Nicolas,Weckhuysen, Bert M.
supporting information, p. 4597 - 4606 (2018/03/06)
Co-Fe-Mn/γ-Al2O3 Fischer–Tropsch synthesis (FTS) catalysts were synthesized, characterized and tested for CO hydrogenation, mimicking end-of-life-tire (ELT)-derived syngas. It was found that an increase of C2-C4 olefin selectivities to 49 % could be reached for 5 wt % Co, 5 wt % Fe, 2.5 wt % Mn/γ-Al2O3 with Na at ambient pressure. Furthermore, by using a 5 wt % Co, 5 wt % Fe, 2.5 wt % Mn, 1.2 wt % Na, 0.03 wt % S/γ-Al2O3 catalyst the selectivity towards the fractions of C5+ and CH4 could be reduced, whereas the selectivity towards the fraction of C4 olefins could be improved to 12.6 % at 10 bar. Moreover, the Na/S ratio influences the ratio of terminal to internal olefins observed as products, that is, a high Na loading prevents the isomerization of primary olefins, which is unwanted if 1,3-butadiene is the target product. Thus, by fine-tuning the addition of promoter elements the volume of waste streams that need to be recycled, treated or upgraded during ELT syngas processing could be reduced. The most promising catalyst (5 wt % Co, 5 wt % Fe, 2.5 wt % Mn, 1.2 wt % Na, 0.03 wt % S/γ-Al2O3) has been investigated using operando transmission X-ray microscopy (TXM) and X-ray diffraction (XRD). It was found that a cobalt-iron alloy was formed, whereas manganese remained in its oxidic phase.
An acelylenically of a diene compound and/or method of manufacturing
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Paragraph 0381-0385; 0418, (2017/03/28)
Provided is a novel method for producing a compound having acetylene bonds and/or a diene. The method for producing a compound having acetylene bonds and/or a diene is characterized in that at least one selected from the group consisting of ketone compound (I), ketone compound (II), aldehyde compound (III), aldehyde compound (IV), and aldehyde compound (V) is dehydrated in the presence of a catalyst wherein a carrier containing silica supports at least one selected from the group consisting of compounds containing group 1 metal elements, compounds containing group 2 metal elements, group 1 metal elements, and group 2 metal elements.
