Oxalyl chloride
- Formula: C2Cl2O2
- Molecular weight: 126.926
- IUPAC Standard InChI: InChI=1S/C2Cl2O2/c3-1(5)2(4)6
- IUPAC Standard InChIKey: CTSLXHKWHWQRSH-UHFFFAOYSA-N
- CAS Registry Number: 79-37-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ethanedioyl dichloride; Ethanedioyl chloride; Oxalic acid dichloride; Oxalic dichloride; Oxaloyl chloride; Oxalyl dichloride; (COCl)2
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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
LL - Sharon G. Lias and Joel F. Liebman
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.91 ± 0.05 | PE | Frost, McDowell, et al., 1977 | LLK |
| 11.33 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
| 11.26 | PE | Meeks and McGlynn, 1975 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2O2+ | 15.7 ± 0.1 | Cl2 | EI | Chen and Holmes, 1994 | LL |
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.
Frost, McDowell, et al., 1977
Frost, D.C.; McDowell, C.A.; Pouzard, G.; Westwood, N.P.C.,
The photoelectron spectra of the oxalyl halides (COX)2,[X = F, Cl and Br],
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 273. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Meeks and McGlynn, 1975
Meeks, J.L.; McGlynn, S.P.,
Photoelectron spectra of carbonyls. Oxalyl chloride, ethyl oxalyl chloride, ethyl oxamate and N,N-dimethyl ethyl oxamate,
Spectrosc. Lett., 1975, 8, 439. [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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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