Tert-butyl radical
- Formula: C4H9
- Molecular weight: 57.1143
- CAS Registry Number: 1605-73-8
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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:
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 C4H9+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°(+) ion | 169.9 ± 0.9 | kcal/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 175.4 ± 0.9 | kcal/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
-0.162 ± 0.092 | D-EA | DePuy, Gronert, et al., 1989 | B |
0.650462 | SI | Page, 1972 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
0.589753 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
6.70 ± 0.03 | PE | Houle and Beauchamp, 1979 | LLK |
6.58 ± 0.01 | PE | Dyke, Jonathan, et al., 1977 | LLK |
6.93 ± 0.05 | EI | Lossing and Semeluk, 1970 | RDSH |
6.95 ± 0.05 | PE | Koenig, Balle, et al., 1975 | Vertical value; LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Dyke, Jonathan, et al., 1977
Dyke, J.; Jonathan, N.; Lee, E.; Morris, A.; Winter, M.,
Vacuum ultraviolet photoelectron spectroscopy of transient species: Part 8, the t-butyl radical,
Phys. Scr., 1977, 16, 197. [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]
Koenig, Balle, et al., 1975
Koenig, T.; Balle, T.; Snell, W.,
Helium(I) photoelectron spectra of organic radicals,
J. Am. Chem. Soc., 1975, 97, 662. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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