1,2,3-Butatriene
- Formula: C4H4
- Molecular weight: 52.0746
- IUPAC Standard InChI: InChI=1S/C4H4/c1-3-4-2/h1-2H2
- IUPAC Standard InChIKey: WHVXVDDUYCELKP-UHFFFAOYSA-N
- CAS Registry Number: 2873-50-9
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, References, Notes
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
View reactions leading to C4H4+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.25 ± 0.05 | EI | Rosenstock, McCulloh, et al., 1977 | LLK |
| 9.15 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
| 9.15 | PE | Brogli, Heilbronner, et al., 1974 | LLK |
| 9.4 | EI | Hedaya, Miller, et al., 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H4+ | 9.25 | ? | EI | Li and McGee, 1969 | RDSH |
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.
Rosenstock, McCulloh, et al., 1977
Rosenstock, H.M.; McCulloh, K.E.; Lossing, F.P.,
On the mechanisms of C6H6 ionization fragmentation,
Int. J. Mass Spectrom. Ion Phys., 1977, 25, 327. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Brogli, Heilbronner, et al., 1974
Brogli, F.; Heilbronner, E.; Kloster-Jensen, E.; Schmelzer, A.; Manocha, A.S.; Pople, J.A.; Radom, L.,
The photoelectron spectrum of butatriene,
Chem. Phys., 1974, 4, 107. [all data]
Hedaya, Miller, et al., 1969
Hedaya, E.; Miller, R.D.; McNeil, D.W.; D'Angelo, P.F.; Schissel, P.,
Flash vacuum pyrolysis. V. Cyclobutadiene,
J. Am. Chem. Soc., 1969, 91, 1875. [all data]
Li and McGee, 1969
Li, P.H.; McGee, H.A., Jr.,
Mass spectrum and ionization potential of condensed cyclobutadiene,
Chem. Commun., 1969, 592. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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