Bicyclo[4.1.0]hepta-1,3,5-triene
- Formula: C7H6
- Molecular weight: 90.1225
- IUPAC Standard InChI: InChI=1S/C7H6/c1-2-4-7-5-6(7)3-1/h1-4H,5H2
- IUPAC Standard InChIKey: AMSMVCOBCOZLEE-UHFFFAOYSA-N
- CAS Registry Number: 4646-69-9
- 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. - Other names: 1,3,5-Norcaratriene; Benzocyclopropene; Cyclopropabenzene
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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C7H6+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.82 | PE | Lecoultre, Heilbronner, et al., 1988 | Vertical value; LL |
| 8.82 | PE | Brogli, Giovannini, et al., 1973 | 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.
Lecoultre, Heilbronner, et al., 1988
Lecoultre, J.; Heilbronner, E.; Muller, P.; Rodriguez, D.,
The influence of fluoro substituents on cyclopropa, -benzene, -naphthalene, and -anthracene,
Collect. Czech. Chem. Commun., 1988, 53, 2385. [all data]
Brogli, Giovannini, et al., 1973
Brogli, F.; Giovannini, E.; Heilbronner, E.; Schurter, R.,
Die photoelektronen spektren der benzocycloalkene,
Chem. Ber., 1973, 106, 961. [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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