2,4-Cyclopentadien-1-ylidene methanone
- Formula: C6H4O
- Molecular weight: 92.0954
- IUPAC Standard InChI: InChI=1S/C6H4O/c7-5-6-3-1-2-4-6/h1-4H
- IUPAC Standard InChIKey: TYMWDZKTHYZJBV-UHFFFAOYSA-N
- CAS Registry Number: 4727-22-4
- 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
View reactions leading to C6H4O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.05 | PE | Bock, Hirabayashi, et al., 1981 | LLK |
| 9.05 ± 0.05 | EI | Thorstad, Undheim, et al., 1974 | LLK |
| 9.0 ± 0.1 | EI | Grutzmacher and Hubner, 1971 | LLK |
| 9.0 ± 0.1 | EI | Grutzmacher and Hubner, 1971, 2 | LLK |
| 8.39 | PE | Bock, Hirabayashi, et al., 1981 | Vertical value; LLK |
| 8.56 | PE | Schulz and Schweig, 1979 | 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.
Bock, Hirabayashi, et al., 1981
Bock, H.; Hirabayashi, T.; Mohmand, S.,
Thermische erzeugung von alkyl- und halogenketenen,
Chem. Ber., 1981, 114, 2595. [all data]
Thorstad, Undheim, et al., 1974
Thorstad, O.; Undheim, K.; Hvistendahl, G.,
Mass spectrometry of onium compounds. XXIII. Ionisation potentials in the structural assignment of [M-N2]ions from diazo-oxides,
Org. Mass Spectrom., 1974, 9, 548. [all data]
Grutzmacher and Hubner, 1971
Grutzmacher, H.F.; Hubner, J.,
Bildung und Struktur von C6H4O bei der Pyrolyse von Salicylsaureestern und verwandten Verbindungen,
Liebigs Ann. Chem., 1971, 748, 154. [all data]
Grutzmacher and Hubner, 1971, 2
Grutzmacher, H.F.; Hubner, J.,
Massenspektrometrie instabiler Molekule. VII. Thermische Bildung von Fulven-6-on durch zweifache Ringverengung von 3-Bromtropolon,
Tetrahedron Lett., 1971, 19, 1455. [all data]
Schulz and Schweig, 1979
Schulz, R.; Schweig, A.,
Elucidation of thermal reactions by variable temperature photoelectron spectral detection of reactive intermediates. The UV photoelectron spectra of transient fulveneketene, fulvenethioketene, a ketoketene, and thiobenzpropiolactone,
Tetrahedron Lett., 1979, 59. [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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