Benzene, 1-chloro-2-fluoro-
- Formula: C6H4ClF
- Molecular weight: 130.547
- IUPAC Standard InChI: InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H
- IUPAC Standard InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N
- CAS Registry Number: 348-51-6
- 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: o-Chlorofluorobenzene; o-Fluorochlorobenzene; 1-Chloro-2-fluorobenzene; 1-Fluoro-2-chlorobenzene; 2-Chlorofluorobenzene
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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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.18 ± 0.02 | PE | Mohraz, Maier, et al., 1980 | LLK |
| 9.18 ± 0.01 | EQ | Lias and Ausloos, 1978 | LLK |
| 9.16 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
| 9.16 | PE | Gounelle, Jullien, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H3+ | 16.67 | ? | EI | Momigny and Wirtz-Cordier, 1962 | RDSH |
| C6H4F+ | 13.94 | Cl | EI | Momigny and Wirtz-Cordier, 1962 | 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.
Mohraz, Maier, et al., 1980
Mohraz, M.; Maier, J.P.; Heilbronner, E.,
He(I α) and He(Iα) photoelectron spectra of fluorinated chloro- and bromobenzenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 429. [all data]
Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J.,
eIonization energies of organic compounds by equilibrium measurements,
J. Am. Chem. Soc., 1978, 100, 6027. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Gounelle, Jullien, et al., 1975
Gounelle, Y.; Jullien, J.; Solgadi, D.; Botter, R.; Menes, F.,
No. 157. - Effets de l'isomerie sur les potentiels d'ionisation: Spectres des photoelectrons de dihalogeno-benzenes,
J. Chim. Phys., 1975, 10, 1094. [all data]
Momigny and Wirtz-Cordier, 1962
Momigny, J.; Wirtz-Cordier, A.M.,
Les effets de l'impact electronique sur des derives dihalogenes du benzene,
Ann. Soc. Sci. Bruxelles, 1962, 76, 164. [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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