But-3-en-1-yl radical
- Formula: C4H7
- Molecular weight: 55.0984
- IUPAC Standard InChI: InChI=1S/C4H7/c1-3-4-2/h3H,1-2,4H2
- IUPAC Standard InChIKey: UHURJXXAXXMMLW-UHFFFAOYSA-N
- CAS Registry Number: 2154-62-3
- Chemical structure:
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess
View reactions leading to C4H7+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.09 ± 0.12 | D-EA | DePuy, Gronert, et al., 1989 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.04 ± 0.03 | PE | Schultz, Houle, et al., 1984 | LBLHLM |
| 8.47 ± 0.05 | PE | Schultz, Houle, et al., 1984 | Vertical value; LBLHLM |
References
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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]
Schultz, Houle, et al., 1984
Schultz, J.C.; Houle, F.A.; Beauchamp, J.L.,
Photoelectron spectroscopy of isomeric C4H7 radicals. Implications for the thermochemistry and structures of the radicals and their corresponding carbonium ions,
J. Am. Chem. Soc., 1984, 106, 7336. [all data]
Notes
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- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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