Evidence for strongly temperature-dependentA factors in alkane decomposition and high heats of formation for alkyl radicals

Wing Tsang

doi:10.1002/kin.550100804

Evidence for strongly temperature-dependentA factors in alkane decomposition and high heats of formation for alkyl radicals

International Journal of Chemical Kinetics ◽

10.1002/kin.550100804 ◽

1978 ◽

Vol 10 (8) ◽

pp. 821-837 ◽

Cited By ~ 49

Author(s):

Wing Tsang

Keyword(s):

Heats Of Formation ◽

Alkyl Radicals

Download Full-text

Enthalpies of Formation of Some Gaseous Molecules, Atoms, and Free Radicals at 298 KaaUnless otherwise indicated, from D. R. Lide, CRC Handbook of Chemistry and Physics, 79th ed., CRC Press, Boca Raton, FL, 1998/1999, and Atkinson et al., J. Phys. Chem. Ref. Data, 26, 1329–1499 (1997).ccFor estimating heats of formation of other stable species, use group additivity methods described by S. W. Benson, Thermochemical Kinetics, Wiley, New York, 1976, see review of N. Cohen and S. W. Benson for organic compounds [“Estimation of Heats of Formation of Organic Compounds by Additivity Methods,” Chem. Rev., 93, 2419–2438 (1993)], and the paper by C.-J. Chen, D. Wong, and J. W. Bozzelli for chlorinated alkanes and alkenes [“Standard Chemical Thermodynamic Properties of Multichloro Alkanes and Alkenes: A Modified Group Additivity Scheme,” J. Phys. Chem. A, 102, 4551–4558 (1998)]. Application of group additivity to C2–C6 alkyl radicals is discussed by N. Cohen [“Thermochemistry of Alkyl for Radicals,” J. Phys. Chem., 96, 9052–9058 (1992)].

Chemistry of the Upper and Lower Atmosphere ◽

10.1016/b978-012257060-5/50019-8 ◽

2000 ◽

pp. 943-944

Keyword(s):

New York ◽

Free Radicals ◽

Thermodynamic Properties ◽

Organic Compounds ◽

Heats Of Formation ◽

Enthalpies Of Formation ◽

Group Additivity ◽

Alkyl Radicals ◽

Stable Species ◽

Chlorinated Alkanes

Download Full-text

ChemInform Abstract: Heats of Formation of Some Simple Alkyl Radicals (in der Reihenfolge Ethyl, Cyclopentyl, Propyl, Isopropyl, sek. und tert. Butyl abnehmende Bildungswärmen von28-9.4 kcal/mol; ESR)

Chemischer Informationsdienst ◽

10.1002/chin.198242107 ◽

1982 ◽

Vol 13 (42) ◽

Author(s):

A. L. CASTHELHANO ◽

D. GRILLER

Keyword(s):

Heats Of Formation ◽

Alkyl Radicals ◽

Tert Butyl

Download Full-text

Heats of formation of alkyl radicals from appearance energies

Journal of the American Chemical Society ◽

10.1021/ja00230a011 ◽

1988 ◽

Vol 110 (22) ◽

pp. 7339-7342 ◽

Cited By ~ 51

Author(s):

John L. Holmes ◽

F. P. Lossing ◽

Allan. Maccoll

Keyword(s):

Heats Of Formation ◽

Alkyl Radicals

Download Full-text

ChemInform Abstract: Heats of Formation of Alkyl Radicals from Appearance Energies

ChemInform ◽

10.1002/chin.198907082 ◽

1989 ◽

Vol 20 (7) ◽

Author(s):

J. L. HOLMES ◽

F. P. LOSSING ◽

A. MACCOLL

Keyword(s):

Heats Of Formation ◽

Alkyl Radicals

Download Full-text

Heats of formation of organic molecules byab initio calculations: Alkyl radicals

Journal of Physical Organic Chemistry ◽

10.1002/poc.610061004 ◽

1993 ◽

Vol 6 (10) ◽

pp. 551-554 ◽

Cited By ~ 10

Author(s):

Ruifeng Liu ◽

Norman L. Allinger

Keyword(s):

Organic Molecules ◽

Heats Of Formation ◽

Alkyl Radicals

Download Full-text

Free radicals by mass spectrometry. XLIL Ionization potentials and ionic heats of formation for C1—C4 alkyl radicals

Canadian Journal of Chemistry ◽

10.1139/v70-157 ◽

1970 ◽

Vol 48 (6) ◽

pp. 955-965 ◽

Cited By ~ 176

Author(s):

F. P. Lossing ◽

G. P. Semeluk

Keyword(s):

Free Radicals ◽

Excited States ◽

Kinetic Data ◽

Ionization Potentials ◽

Heats Of Formation ◽

Alkyl Radicals ◽

Fragment Ions ◽

Vibrational Levels ◽

Upward Curvature ◽

Linear Sections

Ionization potentials for C1—C4 alkyl free radicals have been re-measured by electron impact, using an energy-resolved electron beam from a double-hemispherical electrostatic monochromator. From these values and kinetic data for heats of formation of the radicals, ionic heats of formation for C1—C4 alkyl ions have been calculated. New values for the four isomeric butyl ions are given. The ionization efficiency curves for the simpler radicals show linear sections corresponding to excitation of vibrational levels; for larger radicals these segments are not resolved and only a smooth upward curvature is seen. In disagreement with earlier results, no evidence for formation of low-lying excited states of the ions could be found, either for parent or fragment ions.

Download Full-text

Free radicals by mass spectrometry, XLVII. lonization potentials and ionic heats of formation of C5–C7 alkyl radicals

Canadian Journal of Chemistry ◽

10.1139/v76-142 ◽

1976 ◽

Vol 54 (6) ◽

pp. 990-992 ◽

Cited By ~ 54

Author(s):

F. P. Lossing ◽

Allan Maccoll

Keyword(s):

Mass Spectrometry ◽

Electron Beam ◽

Free Radicals ◽

Ionization Potentials ◽

Heats Of Formation ◽

Alkyl Radicals ◽

Hydride Ion

Using an energy-resolved electron beam, ionization potentials have been measured for a number of C5–C7 isomeric alkyl radicals, produced by pyrolysis of nitrite intermediates. Values for primary radicals, which could not be produced in sufficient yield, are estimated by extrapolation from lower members of the series. Ionic heats of formation and hydride ion affinities are reported.

Download Full-text