Phosgene
- Formula: CCl2O
- Molecular weight: 98.916
- IUPAC Standard InChIKey: YGYAWVDWMABLBF-UHFFFAOYSA-N
- CAS Registry Number: 75-44-5
- 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: Carbonyl dichloride; Carbonic dichloride; Carbon dichloride oxide; Carbon oxychloride; Carbonyl chloride; Chloroformyl chloride; CG; COCl2; Carbone (oxychlorure de); Carbonic chloride; Carbonio (ossicloruro di); Carbonylchlorid; Fosgeen; Fosgen; Fosgene; Koolstofoxychloride; NCI-C60219; Phosgen; Rcra waste number P095; UN 1076; Dichloroformaldehyde
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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
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
~11.2 | PE | Thomas and Thompson, 1972 | LLK |
11.55 ± 0.02 | PE | Chadwick, 1972 | LLK |
11.7 | CI | Cermak, 1968 | RDSH |
11.84 | PE | Johnson, Powis, et al., 1979 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
COCl+ | 11.2 ± 0.2 | Cl | PI | Johnson, Powis, et al., 1979 | LLK |
Cl+ | 16.5 ± 0.2 | Cl,CO | PI | Johnson, Powis, et al., 1979 | 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.
Thomas and Thompson, 1972
Thomas, R.K.; Thompson, H.,
Photoelectron spectra of carbonyl halides and related compounds,
Proc. R. Soc. London A:, 1972, 327, 13. [all data]
Chadwick, 1972
Chadwick, D.,
Photoelectron spectra of phosgene and thiophosgene,
Can. J. Chem., 1972, 50, 737. [all data]
Cermak, 1968
Cermak, V.,
Penning ionization electron spectroscopy. I. Determination of ionization potentials of polyatomic molecules,
Collection Czech. Chem. Commun., 1968, 33, 2739. [all data]
Johnson, Powis, et al., 1979
Johnson, K.M.; Powis, I.; Danby, C.J.,
The fragmentation of COCl2+ and COF2+ ions studied by the photoelectron-photoion coincidence technique,
Int. J. Mass Spectrom. Ion Phys., 1979, 32, 1. [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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