Isopropyl 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
Δfgas90. ± 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+) + Isopropyl radical = (Chromium ion (1+) • Isopropyl radical)

By formula: Cr+ + C3H7 = (Cr+ • C3H7)

Quantity Value Units Method Reference Comment
Δr119. ± 5.4kJ/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:
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 C3H7+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)671.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity638.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion801. ± 4.kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K818. ± 4.kJ/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
-0.320 ± 0.092D-EADePuy, Gronert, et al., 1989B
0.68949SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
7.37 ± 0.02PEDyke, Ellis, et al., 1985LBLHLM
7.36 ± 0.02PEHoule and Beauchamp, 1979LLK
7.55PEAue and Bowers, 1979LLK
7.55 ± 0.05EILossing and Semeluk, 1970RDSH
7.57 ± 0.05EIWilliams and Hamill, 1968RDSH
7.5 ± 0.1EIMelton and Hamill, 1964RDSH
≤7.5PIElder, Giese, et al., 1962RDSH
7.67 ± 0.02PEDyke, Ellis, et al., 1985Vertical 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+) + Isopropyl radical = (Chromium ion (1+) • Isopropyl radical)

By formula: Cr+ + C3H7 = (Cr+ • C3H7)

Quantity Value Units Method Reference Comment
Δr119. ± 5.4kJ/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:   3d


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 48300 gas 3d-X Wendt and Hunziker, 1984

State:   3p


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 42499 gas 3p-X 225 260 Parkes and Quinn, 1976
Wendt and Hunziker, 1984

State:   3s


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 37000 T gas 3s-X Wendt and Hunziker, 1984

State:   X


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

CH stretch 3052 Ar IR Pacansky and Coufal, 1980
Chettur and Snelson, 1987
CH3 stretch 2920 Ar IR Pacansky and Coufal, 1980
CH3 stretch 2850 Ar IR Pacansky and Coufal, 1980
CH3 stretch 2830 Ar IR Pacansky and Coufal, 1980
CH3 deform. 1468 Ar IR Pacansky and Coufal, 1980
CH3 deform. 1440 Ar IR Pacansky and Coufal, 1980
CH3 deform. 1388 Ar IR Pacansky and Coufal, 1980
CH3 deform. 1378 Ar IR Pacansky and Coufal, 1980
CH3 rock 1165 Ar IR Chettur and Snelson, 1987
CC stretch 879 Ar IR Chettur and Snelson, 1987
HC(CH3)2 OPLA 364 s Ar IR Pacansky and Coufal, 1980
Chettur and Snelson, 1987

Additional references: Jacox, 1994, page 383

Notes

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

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]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [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]

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]

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

Pacansky and Coufal, 1980
Pacansky, J.; Coufal, H., The photochemistry and infrared spectrum of the isopropyl radical, J. Chem. Phys., 1980, 72, 5, 3298, https://doi.org/10.1063/1.439566 . [all data]

Chettur and Snelson, 1987
Chettur, G.; Snelson, A., Alkylperoxy and alkyl radicals. 3. Infrared spectra and ultraviolet photolysis of isopropylperoxy and isopropyl radicals in argon + oxygen matrixes, J. Phys. Chem., 1987, 91, 4, 913, https://doi.org/10.1021/j100288a030 . [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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