Benzoyl fluoride
- Formula: C7H5FO
- Molecular weight: 124.1124
- IUPAC Standard InChI: InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H
- IUPAC Standard InChIKey: HPMLGNIUXVXALD-UHFFFAOYSA-N
- CAS Registry Number: 455-32-3
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 |
|---|---|---|---|
| 9.4 | PE | Peel and Von Nagy-Felsobuki, 1987 | LBLHLM |
| 9.5 | PE | Gan, Livett, et al., 1984 | LBLHLM |
| 9.78 | PI | McLoughlin and Traeger, 1979 | LLK |
| 10.6 | EI | Elder, Beynon, et al., 1976 | LLK |
| 10.6 | EI | Majer and Patrick, 1963 | RDSH |
| 9.67 | PE | Peel and Von Nagy-Felsobuki, 1987 | Vertical value; LBLHLM |
| 9.80 | PE | Gan, Livett, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H5O+ | 11.42 | F | PI | McLoughlin and Traeger, 1979 | LLK |
| C7H5O+ | 11.5 | F | EI | Elder, Beynon, et al., 1976 | LLK |
| C7H5O+ | 11.5 | F | EI | Majer and Patrick, 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.
Peel and Von Nagy-Felsobuki, 1987
Peel, J.B.; Von Nagy-Felsobuki, E.I.,
The photoelectron spectra of the fluorotoluenes,
J. Mol. Struct., 1987, 159, 195. [all data]
Gan, Livett, et al., 1984
Gan, T.H.; Livett, M.K.; Peel, J.B.,
Comparative He I and He II photoelectron spectroscopic studies of the benzoyl halides,
J. Chem. Soc. Faraday Trans. 2, 1984, 80, 1281. [all data]
McLoughlin and Traeger, 1979
McLoughlin, R.G.; Traeger, J.C.,
A photoionization study of some benzoyl compounds - thermochemistry of [C7H5O]+ formation,
Org. Mass Spectrom., 1979, 14, 434. [all data]
Elder, Beynon, et al., 1976
Elder, J.F.; Beynon, J.H.; Cooks, R.G.,
The benzoyl ion. Thermochemistry and kinetic energy release,
Org. Mass Spectrom., 1976, 11, 415. [all data]
Majer and Patrick, 1963
Majer, J.R.; Patrick, C.R.,
Appearance potentials of the benzoyl radical-ion,
J. Chem. Soc. Faraday Trans., 1963, 59, 1274. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.