1,2-Propadiene-1,3-dione
- Formula: C3O2
- Molecular weight: 68.0309
- IUPAC Standard InChI: InChI=1S/C3O2/c4-2-1-3-5
- IUPAC Standard InChIKey: GNEVIACKFGQMHB-UHFFFAOYSA-N
- CAS Registry Number: 504-64-3
- 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. - Other names: Carbon suboxide; Carbon oxide (C3O2); C3O2
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.85 ± 0.15 | LPES | Oakes and Ellison, 1986 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.605 | PE | Rabalais, Bergmark, et al., 1972 | LLK |
| 10.60 | PE | Baker and Turner, 1968 | RDSH |
| 10.60 ± 0.03 | PI | Kim and Roebber, 1966 | RDSH |
| 10.60 | S | Kim and Roebber, 1966 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C+ | 18.7 ± 0.3 | 2CO | EI | Botter, 1963 | RDSH |
| CO+ | 20.1 ± 0.3 | ? | EI | Botter, 1963 | RDSH |
| C2+ | 24.5 ± 0.7 | ? | EI | Botter, 1963 | RDSH |
| C2O+ | 14.7 ± 0.1 | CO | EI | Chen and Holmes, 1994 | LL |
| C2O+ | 14.48 ± 0.05 | CO | EI | Chen and Holmes, 1994 | LL |
| C2O+ | 15. ± 0. | CO | EI | Botter, 1963 | RDSH |
| C2O2+ | 15.8 | ? | EI | Botter, 1963 | RDSH |
| C3+ | 29.8 ± 0.4 | ? | EI | Botter, 1963 | RDSH |
| C3O+ | 15.9 ± 0.3 | O | EI | Botter, 1963 | RDSH |
| O+ | 25.8 ± 0.5 | ? | EI | Botter, 1963 | 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.
Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B.,
Photoelectron spectroscopy of radical anions,
Tetrahedron, 1986, 42, 6263. [all data]
Rabalais, Bergmark, et al., 1972
Rabalais, J.W.; Bergmark, T.; Werme, L.O.; Karlson, L.; Hussain, M.; Siebahn, K.,
The high-resolution electron spectrum of carbon suboxide
in Electron Spectroscopy, ed. D.A. Shirley (North-Holland Pub. Co., Amsterdam), 1972, 425. [all data]
Baker and Turner, 1968
Baker, C.; Turner, D.W.,
The photoelectron spectrum and ionisation potentials of carbon suboxide,
Chem. Commun., 1968, 400. [all data]
Kim and Roebber, 1966
Kim, H.H.; Roebber, J.L.,
Vacuum-ultraviolet absorption spectrum of carbon suboxide,
J. Chem. Phys., 1966, 44, 1709. [all data]
Botter, 1963
Botter, R.,
Carbon sub-oxide,
Advan. Mass Spectrom., 1963, 2, 540. [all data]
Chen and Holmes, 1994
Chen, H.; Holmes, J.L.,
The generation of OC2O+ and OC2O and a study of ionized OC3O and C2O by tandem mass spectrometry,
Int. J. Mass Spectrom. Ion Processes, 1994, 133, 111. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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