Tricyclo[4.2.0.02,5]octa-3,7-diene, (1α,2β,5β,6α)-
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChI: InChI=1S/C8H8/c1-2-6-5(1)7-3-4-8(6)7/h1-8H/t5-,6+,7+,8-
- IUPAC Standard InChIKey: DUZZYQHCABHRAJ-SOSBWXJGSA-N
- CAS Registry Number: 20380-31-8
- 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 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 C8H8+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.27 ± 0.10 | EI | Franklin and Carroll, 1969 | RDSH |
| 8.90 | PE | Bodor, Chen, et al., 1974 | Vertical value; LLK |
| 8.96 | PE | Gleiter, Heilbronner, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H3+ | 11.95 ± 0.10 | ? | EI | Franklin and Carroll, 1969 | RDSH |
| C4H2+ | 16.78 ± 0.10 | 2C2H2+H2 | EI | Franklin and Carroll, 1969 | RDSH |
| C4H3+ | 16.41 ± 0.10 | 2C2H2+H | EI | Franklin and Carroll, 1969 | RDSH |
| C4H4+ | 13.90 ± 0.10 | 2C2H2 | EI | Franklin and Carroll, 1969 | RDSH |
| C5H3+ | 14.36 ± 0.10 | C2H2+CH3? | EI | Franklin and Carroll, 1969 | RDSH |
| C6H5+ | 12.59 ± 0.10 | C2H2+H | EI | Franklin and Carroll, 1969 | RDSH |
| C6H6+ | 9.01 ± 0.10 | C2H2 | EI | Franklin and Carroll, 1969 | RDSH |
| C8H6+ | 9.86 ± 0.10 | H2 | EI | Franklin and Carroll, 1969 | RDSH |
| C8H7+ | 9.13 ± 0.10 | H | EI | Franklin and Carroll, 1969 | RDSH |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Franklin and Carroll, 1969
Franklin, J.L.; Carroll, S.R.,
The effect of molecular structure on ionic decomposition. I. An electron impact study of seven C8H8 isomers,
J. Am. Chem. Soc., 1969, 91, 5940. [all data]
Bodor, Chen, et al., 1974
Bodor, N.; Chen, B.H.; Worley, S.D.,
Photoelectron spectra and SCF MO calculations for the dimers of cyclobutadiene,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 65. [all data]
Gleiter, Heilbronner, et al., 1973
Gleiter, R.; Heilbronner, E.; Hekman, M.; Martin, H.-D.,
π-Orbital-Wechselwirkungen "through space" and "through bond" in tricyclo[4.2.0.02,5]octadienen,
Chem. Ber., 1973, 106, 28. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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