Hexa-1,2-diene-5-yne
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChI: InChI=1S/C6H6/c1-3-5-6-4-2/h1,6H,2,5H2
- IUPAC Standard InChIKey: BIFVSVOAVBNUKC-UHFFFAOYSA-N
- CAS Registry Number: 33142-15-3
- 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H6+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.40 | PE | Rosenstock, Dannacher, et al., 1982 | LBLHLM |
| 9.65 ± 0.02 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
| 9.65 | PE | Bischof, Gleiter, 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.
Rosenstock, Dannacher, et al., 1982
Rosenstock, H.M.; Dannacher, J.; Liebman, J.F.,
The role of excited electronic states in ion fragmentation: C6H6+,
Radiat. Phys. Chem., 1982, 20, 7. [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]
Bischof, Gleiter, et al., 1975
Bischof, P.; Gleiter, R.; Hopf, H.; Lenich, F.T.,
Photoelectron spectra of open chain C6H6 isomers,
J. Am. Chem. Soc., 1975, 97, 5467. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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