1,3-Hexadien-5-yne
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChIKey: OGWJYLKDZYZYBA-UHFFFAOYSA-N
- CAS Registry Number: 10420-90-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Butadienylacetylene; HC≡CCH=CHCH=CH2
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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C6H6+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.20 | PE | Rosenstock, Dannacher, et al., 1982 | LBLHLM |
9.50 | EI | Momigny, Brakier, et al., 1962 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H3+ | 14.57 | ? | EI | Momigny, Brakier, et al., 1962 | RDSH |
C4H2+ | 17.55 | ? | EI | Momigny, Brakier, et al., 1962 | RDSH |
C4H3+ | 18.27 | ? | EI | Momigny, Brakier, et al., 1962 | RDSH |
C4H4+ | 14.77 | C2H2 | EI | Momigny, Brakier, et al., 1962 | RDSH |
C6H4+ | 13.72 | H2 | EI | Momigny, Brakier, et al., 1962 | RDSH |
C6H5+ | 13.52 | H | EI | Momigny, Brakier, et al., 1962 | 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, 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]
Momigny, Brakier, et al., 1962
Momigny, J.; Brakier, L.; D'Or, L.,
Comparaison entre les effets de l'impact electronique sur le benzene et sur les isomeres du benzene en chaine ouverte,
Bull. Classe Sci. Acad. Roy. Belg., 1962, 48, 1002. [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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