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Friday, May 1, 2020 | History

2 edition of Evaluated kinetic data on gas phase hydrogen transfer reactions of methyl radicals found in the catalog.

Evaluated kinetic data on gas phase hydrogen transfer reactions of methyl radicals

J. Alistair Kerr

Evaluated kinetic data on gas phase hydrogen transfer reactions of methyl radicals

  • 123 Want to read
  • 9 Currently reading

Published by Butterworths in London, Boston .
Written in English

    Subjects:
  • Chemical kinetics -- Tables,
  • Chemistry, Organic -- Tables

  • Edition Notes

    Includes bibliographical references and indexes

    StatementJ. A. Kerr and M. J. Parsonage
    ContributionsParsonage, M. J
    The Physical Object
    Pagination284 p. :
    Number of Pages284
    ID Numbers
    Open LibraryOL14538303M
    ISBN 100408707798

    In the range of gas flow rates studied (90 {times} 10{sup {minus}6} to {times} 10{sup {minus}6} m{sup 3}/s), the effect of gas-phase resistance to mass transfer on the absorption of H{sub 2}S was significant. The rates of absorption of H{sub 2}S and the selectivity .   Early gas-phase studies of methane activation were focused on the reactions of bare metal cations. A landmark discovery was made by Irikura and Beauchamp (2, 3), who detected thermal reactions of methane with 5d transition-metal cations; Reaction 1 with M = Ta, W, Os, Ir, and by: The gas phase reaction between methane sulfonic acid (CH3SO3H; MSA) and the hydroxyl radical (HO), without and with a water molecule, was investigated with DFT-B3LYP and CCSD(T)-F12 methods. For the bare reaction we have found two reaction mechanisms, involving proton coupled electron transfer and hydrogen atom transfer processes that produce. An antioxidant is a substance that at low concentrations delays or prevents oxidation of a substrate. Antioxidant compounds act through several chemical mechanisms: hydrogen atom transfer (HAT), single electron transfer (SET), and the ability to chelate transition metals. The importance of antioxidant mechanisms is to understand the biological meaning of antioxidants, their possible uses Cited by: 6.

    When there is adequate evidence that transfer of the labeled hydrogen occurs in the rate-determining step of a reaction, if a fairly large kinetic isotope effect is observed, e.g. kH/kD of at least or kH/kT about 10–13 at room temperature, it is quite likely that the hydrogen transfer is linear and that the hydrogen is fairly.


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Evaluated kinetic data on gas phase hydrogen transfer reactions of methyl radicals by J. Alistair Kerr Download PDF EPUB FB2

Genre/Form: Tables: Additional Physical Format: Online version: Kerr, J. Alistair (James Alistair), Evaluated kinetic data on gas phase hydrogen transfer reactions of methyl radicals. The available kinetic data for the homogeneous gas phase reactions of the hydroxyl radical with alkanes have been compiled and critically evaluated.

For each reaction, relevant thermodynamic data, a table of measured rate constants, a discussion of the data, and a comprehensive bibliography are by:   Rate constants and mechanisms for the gas phase reactions of atomic oxygen O(3P) with organic compounds having only saturated C–C bonds are compiled and critically evaluated.

Data are given for the alkanes, cycloalkanes, haloalkanes, oxygen and nitrogen containing organic compounds, and free radicals. In addition, data are given for some miscellaneous compounds Cited by: Abstract.

It is generally accepted that free radicals are key reactive intermediates in thermal coal chemistry. This view is supported by the general observation that free-radical reactions control the pyrolysis chemistry of most organic substances. General kinetic features of coal liquefaction have also been used to support this view.

(1)Cited by: Article. Kinetic Analysis of the Gas-Phase Reactions of Methyl Tert-Butyl Ether with the OH Radical in the Presence of NO x. André Silva Pimentel*, and Graciela Arbilla. Departamento de Físico-Química, Instituto de Química, Universidade Federal do Rio de Janeiro, Centro de Tecnologia – Bloco A – SalaCidade Universitária, Rio de Janeiro - RJ, Brazil; *e-mail pimentel.

At low ratios reaction (1) is the main sink for ethyl radicals, while the ethyl radical self-reaction dominates at high ratios. C2H5+OH (+M) -~CH3+H+HCHO (+M), C2H5+OH (+M) ~CH3+CH2OH (+M), where M is the bath gas.

The radicals were generated by pulse radiolysis of stable parent gas by: The kinetics of hydrogen atom transfer reactions from chloro–fluoro methanes (CFH 3, CF 2 H 2, CF 3 H, CClH 3, CCl 2 H 2 and CCl 3 H) by methyl radical (CH 3) was studied using ab initio calculations. The transition states were determined at the HF level of theory with the G ∗ and G ∗∗ basis sets.

The activation energies calculated for the hydrogen abstraction reactions were in reasonably good Cited by: 4. Some Recent Developments in the Gas-Phase Pyrolysis of Hydrocarbons.

, DOI: /bach Stefan J. Rzad, Robert H. Schuler. Dose and concentration dependence of hydrogen transfer in the radiolysis of dilute solutions of cyclopropane in n-hexane and by: In addition to radical generation via electron transfer, high energy electrons or high energy photon is also used as an approach to generate radicals on oligonucleotides.

Electron detachment dissociation (EDD) takes place with higher kinetic energy electrons (> eV) which cause the detachment of one or several electrons from the analytes.

Hydrogen atom transfer (HAT), a key step in many chemical, environmental, and biological processes, is one of the fundamental chemical reactions: A−H + B → A + H−B. Traditional HAT involves p-block radicals such as tert-BuO • abstracting H • from organic molecules.

A gas-phase kinetic model with 65 elementary steps involving 29 species describes accurately pyrolysis rates and selectivity below K, including the formation of C10+ hydrocarbons. [6] Surface reactions include CH4 conversion to methyl radicals, recombination of H-atoms to giveFile Size: KB.

Methyl peroxy, a key radical in tropospheric chemistry, was recently shown to react with the hydroxyl radical at an unexpectedly high rate.

Here, the molecular reaction Cited by: Evaluated Kinetic Data for High Temperature Reactions: Homogeneous Gas Phase Reactions of the H2-N2-O2 System v. 2 [Baulch, Donald Leslie; Drysdale, D. D.; Home, D. G.; Lloyd, A.C.] on *FREE* shipping on qualifying offers. Evaluated Kinetic Data for High Temperature Reactions: Homogeneous Gas Phase Reactions of the H2-N2-O2 System v.

2Price: $ Request PDF | Kinetics of the Gas-Phase Recombination Reaction of Hydroxyl Radicals to Form Hydrogen Peroxide | The potential energy hypersurface (PES) of the reaction OH + OH (+M). reaction propagated in the gas phase, as well as the role of the mass transfer processes in the catalyst grain were analysed.

In recent years, the number of studies devoted to the heterogeneous reactions of free radicals has continued to grow. Some of the postulates formulated previously require rethinking in the light of the results.

Freiberg M, Meyerstein D () Reactions of aliphatic free radicals with copper cations in aqueous solution, part 2. Reactions with cupric ions: a pulse radiolysis study. J Chem Soc Faraday Trans – Google Scholar Giese B () Formation of CC bonds by addition of free radials. CH20; hydrogen peroxide, H20 2; and carbon monoxide, CO.

The second type of intermediate appears in the sequence of steps for an individual reaction of the network. These species (e.g., free radicals in the gas phase) are usually pres­ ent in very small concentrations and have short lifetimes when compared to those ofreactants and Size: 2MB.

The kinetics of the gas-phase reactions of selected monoterpenes and cyclo-alkenes with ozone and the NO3 radical D.J The relative rate method has been used to measure the room-temperature rate constants for the gas-phase reactions of ozone and NO3 with selected monoterpenes and cyclo and so kinetic data on awiderrange ofsuch compounds.

available rate constants for hydrogen-atom transfer from carbon-hydrogen bonds in organic compounds to. chlorine atoms, small alkyl radicals, trichloromethyl, alkoxy, and alkylperoxy radicals in the liquid phase. We also' evaluate the limits of uncertainty and assign J. Phys. Chem. Ref. Data, Vol.

3, File Size: 3MB. The gas phase reactions of O 3 with ethene, isoprene, and a series of monoterpenes have been investigated at ± 2 K and atmospheric pressure of air in the presence of cyclohexane at concentrations sufficient to essentially totally scavenge any OH radicals formed.

The expected products of the OH radical‐initiated reaction of cyclohexane, cyclohexanone and cyclohexanol, were observed.

Shouming Zhou, Ian Barnes, Tong Zhu and Thorsten Benter, Kinetic Study of Gas-Phase Reactions of OH and NO 3 Radicals and O 3 with iso-Butyl and tert -Butyl Vinyl Ethers, The Journal of Physical Chemistry A, /jpa,35, (), ().

Hydrogen-transfer reactions between methyl radicals and protic solvents, such as water and ethanol, have been studied at the G3(MP2)-RAD level of theory. The typically high barriers for hydrogen abstraction from the OH group are lowered dramatically on complexation of protic solvents with BMe3.

Rate constants for the gas-phase reactions of OH radicals with alkanes have 20 been periodically reviewed and evaluated (Atkinson,), and the reactions of OH radicals with ≤C4 alkanes are included in the ongoing NASA () and IUPAC () data evaluations (which are now only available on the World Wide.

A kinetic approach was used to determine the radical scavenging activities of sinapic acid and its derivatives: sinapine, 4-vinylsyringol, syringic acid, syringaldehyde, and ethyl, propyl and butyl sinapate.

The responses were expressed as rates of 2,2-diphenylpicrylhydrazyl radical (DPPH˙) scavenging (RS), superoxide radical (O2˙−) scavenging (RFF), and β-carotene bleaching in the Cited by: 3.

The reaction of hydroxyl and methylperoxy radicals has recently been suggested as the source of missing methanol in the remote troposphere.

Here, the authors present direct experimental Cited by: 6. Hydroxyl radical formation in the gas phase oxidation of distonic 2-methylphenyl radical cations benzyl radicals by OH abstraction reactions is close towe provide the first experimental evaluation of 2-methyl-phenyl + O 2 reaction using the distonic radical ion approach.

gas-phase and surface reactions and in particular the inter-action or competition of gas-phase and surface reactions. A great variety of hydrocarbons and hydrocarbon radicals are formed by gas phase reactions, and any of these species has a potential for chemisorption or physisorption on the growing carbon surface and thus to form pyrolytic carbon.

Gas phase thermochemistry data; Phase change data; Reaction thermochemistry data: reactions 1 to 50Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys K.E.; Dibeler, V.H., Enthalpy of formation of methyl and methylene radicals of photoionization studies of methane and ketene, J.

Chem. Phys. Gas basicity (review) (kJ/mol) Reference Comment; ± Bouchoux and Salpin, T = K; Re-evaluated thermokinetic parametric fitting by the authors using reference base GBs and PAs from Hunter and Lias, ; MM: ± page 1 the photolysis and mass spectrometry of methyl iodide, trifluoromethyl iodide and equimolar mixtures of methyl lodide-trifluoromethyl iodide in the gas phase by dawit teclemariam a dissertation presented to the graduate council of the university of florida in partial fulfillment of the requirements for the degree of doctor of philosophy university of florida The gas phase reactions of the bridgehead 3-carboxylatoadamantyl radical anion were observed with a estimate of the bond dissociation energy of the weak N–O bond of methyl Barton Ester is 65 kJ demonstrating that Barton Esters are also effective in the generation of gas phase radicals.

The. Background. The kinetic isotope effect is considered to be one of the most essential and sensitive tools for the study of reaction mechanisms, the knowledge of which allows the improvement of the desirable qualities of the corresponding example, kinetic isotope effects can be used to reveal whether a nucleophilic substitution reaction follows a unimolecular (S N 1) or bimolecular.

hydrogen atoms and investigate the kinetics of their addition reactions with 1-butene at temperatures of to K and pressures of to kPa. Rate parameters for the unimolecular decomposition of 1-butene are also reported.

Addition of H atoms to the π bond of 1-butene results in displacement of either methyl or ethyl depending on Cited by: We used one-dimensional photochemical and radiative transfer models to study the potential of organic sulfur compounds (CS 2, OCS, CH 3 SH, CH 3 SCH 3, and CH 3 S 2 CH 3) to act as remotely detectable biosignatures in anoxic exoplanetary trations of organic sulfur gases were predicted for various biogenic sulfur fluxes into anoxic atmospheres and were found to increase with Cited by: Example Heat required to heat a gas Chapter 3: Phase Equilibria Phase and Pure Substance Phase Behavior Example Specific volume from data Introduction to Phase Equilibrium Pure Species Phase Equilibrium Gibbs Free Energy as a Criterion for Chemical Equilibrium The latest techniques used to prove, describe and analyze the gas phase activity of a fire retardant used in polymeric materials are briefly reviewed.

Classical techniques, such as thermogravimetric analysis or microscale combustion calorimetry, as well as complex and advanced analytical techniques, such as modified microscale combustion calorimeter (MCC), molecular beam mass spectroscopy and Cited by: Kinetics of Fluid–Fluid Reactions Mass Transfer at a Gas–Liquid Interface (Two-Film Theory) Mass Transfer with (Slow) Homogeneous Reaction in the Bulk Phase Mass Transfer with Fast or Instantaneous Reaction near or at the Interface Kinetics of Heterogeneously Catalyzed Reactions KINETIC MODELING OF METHANOL SYNTHESIS FROM CARBON MONOXIDE, CARBON DIOXIDE AND HYDROGEN OVER A Cu/ZnO/Cr 2O3 CATALYST by Daaniya Rahman The main purpose of this study was to investigate kinetic models proposed in the literature for methanol synthesis and select the best fit model using regression techniques in POLYMATH.

keeping coke forming reactions to a minimum. Since the pioneer work of F.O. Rice in the s [10], it is well known that the largest part of gas phase hydrocarbon pyrolysis proceeds through a free radical mechanism which is inherently charac-terized by a vast number of species and reactions.

Although specific reactions taking place in a free-File Size: KB. Free radicals Radicals are atoms, molecules, or ions with unpaired electrons in outer shell configuration. Free radicals may have positive, negative or zero charge. Even though have unpaired electrons, by convention, metals and their ions or complexes with unpaired electrons are not radicals.

Unpaired electrons cause radicals to be highly reactive. The gas phase reaction between methane sulfonic acid (CH 3 SO 3 H; MSA) and the hydroxyl radical (HO), without and with a water molecule, was investigated with DFT-B3LYP and CCSD(T)-F12 methods. For the bare reaction we have found two reaction mechanisms, involving proton coupled electron transfer and hydrogen atom transfer processes that produce CH 3 SO 3 and H 2 by: The mechanism at that stage contained gas phase reactions, aqueous phase reactions and 34 heterogeneous processes.

The mechanism was coupled to the gas phase mechanism RADM2 (Regional Acid Deposition Model 2; Stockwell et al., ). Phase transfer was treated by means of the resistance model of Schwartz ().Properties of Chemicals and Materials Half Life Prandtl Number Search this Evaluated Kinetic Data on Gas Phase Addition Reactions.

QDK (Reference) Rate Constants of Gas Phase Reactions: Reference Book. QDK (Reference)Author: Teri Vogel.