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, NIST Free Links, 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
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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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