Cyclopropyl radical
- Formula: C3H5
- Molecular weight: 41.0718
- IUPAC Standard InChI: InChI=1S/C3H5/c1-2-3-1/h1H,2-3H2
- IUPAC Standard InChIKey: XIPUIGPNIDKXJU-UHFFFAOYSA-N
- CAS Registry Number: 2417-82-5
- 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 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
B - John E. Bartmess
View reactions leading to C3H5+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 738.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 702.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°(+) ion | 1070. | kJ/mol | N/A | N/A |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.51 ± 0.21 | D-EA | Peerboom, Rademaker, et al., 1992 | B |
| 0.397 ± 0.069 | CIDC | Seburg and Squires, 1997 | B |
| 0.364 ± 0.088 | D-EA | DePuy, Gronert, et al., 1989 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.18 ± 0.03 | PE | Dyke, Ellis, et al., 1985 | LBLHLM |
| 8.68 ± 0.02 | PE | Dyke, Ellis, et al., 1985 | Vertical value; LBLHLM |
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.
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]
Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M.,
Stabilization of Cycloalkyl Carbanions in the Gas Phase,
Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608
. [all data]
Seburg and Squires, 1997
Seburg, R.A.; Squires, R.R.,
The Electron Affinity of Cyclopropyl Radical Measured by the Kinetic Method,
Int. J. Mass Spectrom. Ion Proc., 1997, 167, 541, https://doi.org/10.1016/S0168-1176(97)00101-8
. [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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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