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n-Propyl 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
Deltafgas100. ± 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+) + n-Propyl radical = (Chromium ion (1+) bullet n-Propyl radical)

By formula: Cr+ + C3H7 = (Cr+ bullet C3H7)

Quantity Value Units Method Reference Comment
Deltar134. ± 5.9kJ/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 compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C3H7+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
-0.07 ± 0.12D-EADePuy, Gronert, et al., 1989B

Ionization energy determinations

IE (eV) Method Reference Comment
8.09 ± 0.01PEDyke, Ellis, et al., 1985LBLHLM
8.15 ± 0.02PESchultz, Houle, et al., 1984LBLHLM
8.10 ± 0.05EILossing and Semeluk, 1970RDSH
8.13 ± 0.05EIWilliams and Hamill, 1968RDSH
8.2 ± 0.1EIMelton and Hamill, 1964RDSH
<=8.1PIElder, Giese, et al., 1962RDSH
8.35 ± 0.01PEDyke, Ellis, et al., 1985Vertical value; LBLHLM
8.43 ± 0.02PESchultz, Houle, et al., 1984Vertical 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+) + n-Propyl radical = (Chromium ion (1+) bullet n-Propyl radical)

By formula: Cr+ + C3H7 = (Cr+ bullet C3H7)

Quantity Value Units Method Reference Comment
Deltar134. ± 5.9kJ/molCIDTFisher and Armentrout, 1992 

Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   X


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

CH stretch 3100 Ar IR Pacansky, Horne, et al., 1977
CH stretch 3018 Ar IR Pacansky, Horne, et al., 1977
2-CH stretch 2812 Ar IR Pacansky, Horne, et al., 1977
RCH2 deform. 530 vs Ar IR Pacansky, Horne, et al., 1977

Additional references: Jacox, 1994, page 383

Notes

vsVery strong

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, NIST Free Links, 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]

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]

Dyke, Ellis, et al., 1985
Dyke, J.; Ellis, A.; Jonathan, N.; Morris, A., Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 18. The cyclopropyl, isopropyl, an n-propyl radicals, J. Chem. Soc. Faraday Trans. 2, 1985, 81, 1573. [all data]

Schultz, Houle, et al., 1984
Schultz, J.C.; Houle, F.A.; Beauchamp, J.L., Photoelectron spectroscopy of 1-propyl, 1-butyl, isobutyl, neopentyl and 2-butyl radicals: Free radical precursors to high energy carbonium ion isomers, J. Am. Chem. Soc., 1984, 106, 3917. [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]

Melton and Hamill, 1964
Melton, C.E.; Hamill, W.H., Ionization potentials of alkyl free radicals and of benzene, toluene, and triethylamine by the RPD technique, J. Chem. Phys., 1964, 41, 3464. [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]

Pacansky, Horne, et al., 1977
Pacansky, J.; Horne, D.E.; Gardini, G.P.; Bargon, J., Matrix isolation studies of alkyl radicals. The characteristic infrared spectra of primary alkyl radicals, J. Phys. Chem., 1977, 81, 23, 2149, https://doi.org/10.1021/j100538a003 . [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]


Notes

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