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Ethyl radical

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Deltafgas119. ± 2.kJ/molN/ATsang, 1996 

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Chromium ion (1+) + Ethyl radical = (Chromium ion (1+) bullet Ethyl radical)

By formula: Cr+ + C2H5 = (Cr+ bullet C2H5)

Quantity Value Units Method Reference Comment
Deltar146. ± 8.8kJ/molCIDTFisher and Armentrout, 1992 

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C2H5+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)616.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity583.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
-0.263 ± 0.089D-EADePuy, Gronert, et al., 1989B
0.954012SIPage, 1972The Magnetron method, lacking mass analysis, is not considered reliable.; B
0.888965SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.117 ± 0.008PIRuscic, Berkowitz, et al., 1989LL
8.13DERLias, Bartmess, et al., 1988LL
<=8.26 ± 0.02PEDyke, Ellis, et al., 1984LBLHLM
8.32 ± 0.04PEDyke, Jonathan, et al., 1982LBLHLM
8.39 ± 0.02PEHoule and Beauchamp, 1979LLK
8.30 ± 0.02PEHoule and Beauchamp, 1977LLK
8.38 ± 0.05EILossing and Semeluk, 1970RDSH
8.34 ± 0.05EIWilliams and Hamill, 1968RDSH
<=8.4PIElder, Giese, et al., 1962RDSH
8.51 ± 0.01PEDyke, Ellis, et al., 1984Vertical value; LBLHLM
8.53 ± 0.02PEDyke, Jonathan, et al., 1982Vertical value; LBLHLM

Ion clustering data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

Chromium ion (1+) + Ethyl radical = (Chromium ion (1+) bullet Ethyl radical)

By formula: Cr+ + C2H5 = (Cr+ bullet C2H5)

Quantity Value Units Method Reference Comment
Deltar146. ± 8.8kJ/molCIDTFisher and Armentrout, 1992 

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   3p


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 48800 T gas 3p-X Wendt and Hunziker, 1984
Munk, Pagsberg, et al., 1986
Sappey and Weisshaar, 1987

State:   3s


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 40600 T gas 3s-X Wendt, Wyrsch, et al., 1974
Parkes and Quinn, 1976
Wendt and Hunziker, 1984
Munk, Pagsberg, et al., 1986

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' CH2 s-stretch 3037.02 gas LD Davis, Uy, et al., 2000
CH2 s-stretch 3033 m Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CH2 s-stretch 3032.6 H2 IR Sogoshi, Wakabayashi, et al., 1997
Wu, Yang, et al., 2004
CH3 s-stretch 2875.64 gas LD Haber, Blair, et al., 2006
CH3 s-stretch 2920 m Ar IR Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
2-CH stretch 2854.10 gas LD Haber, Blair, et al., 2006
2-CH stretch 2842 s Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CH2 deform. 1440 m Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CH2 deform. 1442.3 H2 IR Wu, Yang, et al., 2004
1383 Ar IR Chettur and Snelson, 1987
1392.4 H2 IR Wu, Yang, et al., 2004
CH3 deform. 1366 m Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CC stretch 1138 w Ar IR Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CC stretch 1141.6 H2 IR Wu, Yang, et al., 2004
1025 Ar IR Chettur and Snelson, 1987
CCH2 umbrella 528.12 gas DL Sears, Johnson, et al., 1996
Sears, Johnson, et al., 1999
CCH2 umbrella 540 vs Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CCH2 umbrella 541.7 H2 IR Wu, Yang, et al., 2004
a CH2 a-stretch 3128.69 gas LD Davis, Uy, et al., 2000
CH2 a-stretch 3112 s Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CH2 a-stretch 3122.8 H2 IR Sogoshi, Wakabayashi, et al., 1997
Wu, Yang, et al., 2004
CH3 a-stretch 3000.17 gas LD Haber, Blair, et al., 2006
CH3 a-stretch 2987 s Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
CH3 a-stretch 2984.3 H2 IR Sogoshi, Wakabayashi, et al., 1997
Wu, Yang, et al., 2004
CH3 deform. 1440 m Ar IR Pacansky, Gardini, et al., 1976
Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
CH3 deform. 1442.3 H2 IR Wu, Yang, et al., 2004
H deform. 1175 m Ar IR Pacansky and Dupuis, 1982
Pacansky and Schrader, 1983
Chettur and Snelson, 1987
H deform. 1167.3 H2 IR Wu, Yang, et al., 2004

Additional references: Jacox, 1994, page 359; Jacox, 1998, page 323; Jacox, 2003, page 334; Sogoshi, Wakabayashi, et al., 2001; Kim and Yamamoto, 2004

Notes

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Tsang, 1996
Tsang, W., Heats of Formation of Organic Free Radicals by Kinetic Methods in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]

Fisher and Armentrout, 1992
Fisher, E.R.; Armentrout, P.B., Activation of Alkanes by Cr+: Unique Reactivity of Ground-State Cr+(6S) and Thermochemistry of Neutral and Ionic Chromium-Carbon Bonds, J. Am. Chem. Soc., 1992, 114, 6, 2039, https://doi.org/10.1021/ja00032a017 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Page, 1972
Page, F.M., Experimental determination of the electron affinities of inorganic radicals, Adv. Chem. Ser., 1972, 36, 68. [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Ruscic, Berkowitz, et al., 1989
Ruscic, B.; Berkowitz, J.; Curtiss, L.A., The ethyl radical: Photoionization and theoretical studies, J. Chem. Phys., 1989, 91, 114. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Dyke, Ellis, et al., 1984
Dyke, J.M.; Ellis, A.R.; Keddar, N.; Morris, A., A reinvestigation of the first band in the photoelectron spectrum of the ethyl radical, J. Phys. Chem., 1984, 88, 2565. [all data]

Dyke, Jonathan, et al., 1982
Dyke, J.M.; Jonathan, N.; Morris, A., Recent progress in the study of transient species with vacuum ultraviolet photoelectron spectroscopy, Int. Rev. Phys. Chem., 1982, 2, 3. [all data]

Houle and Beauchamp, 1979
Houle, F.A.; Beauchamp, J.L., Photoelectron spectroscopy of methyl, ethyl, isopropyl, and tert-butyl radicals. Implications for the thermochemistry and structures of the radicals and their corresponding carbonium ions, J. Am. Chem. Soc., 1979, 101, 4067. [all data]

Houle and Beauchamp, 1977
Houle, F.A.; Beauchamp, J.L., The first ionization potential of ethyl radical by photoelectron spectroscopy, Chem. Phys. Lett., 1977, 48, 457. [all data]

Lossing and Semeluk, 1970
Lossing, F.P.; Semeluk, G.P., Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C1-C4 alkyl radicals, Can. J. Chem., 1970, 48, 955. [all data]

Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H., Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer, J. Chem. Phys., 1968, 49, 4467. [all data]

Elder, Giese, et al., 1962
Elder, F.A.; Giese, C.; Steiner, B.; Inghram, M., Photo-ionization of alkyl free radicals, J. Chem. Phys., 1962, 36, 3292. [all data]

Wendt and Hunziker, 1984
Wendt, H.R.; Hunziker, H.E., The UV spectra of primary, secondary, and tertiary alkyl radicals, J. Chem. Phys., 1984, 81, 2, 717, https://doi.org/10.1063/1.447755 . [all data]

Munk, Pagsberg, et al., 1986
Munk, J.; Pagsberg, P.; Ratajczak, E.; Sillesen, A., Spectrokinetic studies of ethyl and ethylperoxy radicals, J. Phys. Chem., 1986, 90, 12, 2752, https://doi.org/10.1021/j100403a038 . [all data]

Sappey and Weisshaar, 1987
Sappey, A.D.; Weisshaar, J.C., Vibronic spectrum of cold, gas-phase allyl radicals by multiphoton ionization, J. Phys. Chem., 1987, 91, 14, 3731, https://doi.org/10.1021/j100298a004 . [all data]

Wendt, Wyrsch, et al., 1974
Wendt, H.R.; Wyrsch, D.; Hunziker, H.E., Ber. Bunsenges. Phys. Chem., 1974, 78, 201. [all data]

Parkes and Quinn, 1976
Parkes, D.A.; Quinn, C.P., J. Chem. Soc., 1976, Faraday Trans. 1 72, 1952. [all data]

Davis, Uy, et al., 2000
Davis, S.; Uy, D.; Nesbitt, D.J., Laser spectroscopy of jet-cooled ethyl radical: Infrared studies in the CH[sub 2] stretch manifold, J. Chem. Phys., 2000, 112, 4, 1823, https://doi.org/10.1063/1.480746 . [all data]

Pacansky, Gardini, et al., 1976
Pacansky, J.; Gardini, G.P.; Bargon, J., Low temperature studies on propionyl benzoyl peroxide and propionyl peroxide. The ethyl radical, J. Am. Chem. Soc., 1976, 98, 9, 2665, https://doi.org/10.1021/ja00425a045 . [all data]

Pacansky and Dupuis, 1982
Pacansky, J.; Dupuis, M., Assignment of the infrared spectrum for the ethyl radical, J. Am. Chem. Soc., 1982, 104, 2, 415, https://doi.org/10.1021/ja00366a007 . [all data]

Pacansky and Schrader, 1983
Pacansky, J.; Schrader, B., Calculation of the frequencies and intensities in the infrared spectrum of the ethyl radical, J. Chem. Phys., 1983, 78, 3, 1033, https://doi.org/10.1063/1.444903 . [all data]

Chettur and Snelson, 1987
Chettur, G.; Snelson, A., Alkylperoxy and alkyl radicals. 4. Matrix IR spectra and UV photolysis of ethylperoxy and ethyl radicals, J. Phys. Chem., 1987, 91, 13, 3483, https://doi.org/10.1021/j100297a006 . [all data]

Sogoshi, Wakabayashi, et al., 1997
Sogoshi, N.; Wakabayashi, T.; Momose, T.; Shida, T., Infrared Spectroscopic Studies on Photolysis of Ethyl Iodide in Solid Parahydrogen, J. Phys. Chem. A, 1997, 101, 4, 522, https://doi.org/10.1021/jp961911r . [all data]

Wu, Yang, et al., 2004
Wu, Y.-J.; Yang, X.; Lee, Y.-P., Infrared matrix-isolation spectroscopy using pulsed deposition of p-H[sub 2], J. Chem. Phys., 2004, 120, 3, 1168, https://doi.org/10.1063/1.1639151 . [all data]

Haber, Blair, et al., 2006
Haber, T.; Blair, A.C.; Nesbitt, D.J.; Schuder, M.D., CH stretch/internal rotor dynamics in ethyl radical: High-resolution spectroscopy in the CH[sub 3]-stretch manifold, J. Chem. Phys., 2006, 124, 5, 054316, https://doi.org/10.1063/1.2140740 . [all data]

Sears, Johnson, et al., 1996
Sears, T.J.; Johnson, P.M.; Jin, P.; Oatis, S., Infrared laser transient absorption spectroscopy of the ethyl radical, J. Chem. Phys., 1996, 104, 3, 781, https://doi.org/10.1063/1.470803 . [all data]

Sears, Johnson, et al., 1999
Sears, T.J.; Johnson, P.M.; BeeBe-Wang, J., Infrared spectrum of the CH[sub 2] out-of-plane fundamental of C[sub 2]H[sub 5], J. Chem. Phys., 1999, 111, 20, 9213, https://doi.org/10.1063/1.479835 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Sogoshi, Wakabayashi, et al., 2001
Sogoshi, N.; Wakabayashi, T.; Momose, T.; Shida, T., Infrared Spectroscopic Study on Photolysis of Ethyl Iodide in Solid Parahydrogen: Perdeuterated Iodide System, J. Phys. Chem. A, 2001, 105, 13, 3077, https://doi.org/10.1021/jp004027g . [all data]

Kim and Yamamoto, 2004
Kim, E.; Yamamoto, S., Fourier transform millimeter-wave spectroscopy of the ethyl radical in the electronic ground state, J. Chem. Phys., 2004, 120, 7, 3265, https://doi.org/10.1063/1.1640616 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References