Benzene, nitroso-
- Formula: C6H5NO
- Molecular weight: 107.1100
- IUPAC Standard InChI: InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
- IUPAC Standard InChIKey: NLRKCXQQSUWLCH-UHFFFAOYSA-N
- CAS Registry Number: 586-96-9
- 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: Nitrosobenzene
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 854.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 823.6 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.0 | PE | Egdell, Green, et al., 1975 | LLK |
| 8.09 | PE | Rabalais and Colton, 1973 | LLK |
| 8.9 | PE | Rao, 1975 | Vertical value; LLK |
| 8.9 ± 0.1 | PE | Egdell, Green, et al., 1975, 2 | Vertical value; LLK |
| 8.87 | PE | Baker, May, et al., 1968 | Vertical value; RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H5+ | 11.0 ± 0.1 | ? | EI | Carmichael, Gowenlock, et al., 1972 | 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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R.,
Photoelectron spectra of substituted benzenes,
Chem. Phys. Lett., 1975, 33, 600. [all data]
Rabalais and Colton, 1973
Rabalais, J.W.; Colton, R.J.,
Electronic interaction between the phenyl group and its unsaturated substituents,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 83. [all data]
Rao, 1975
Rao, C.N.R.,
Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules,
Indian J. Chem., 1975, 13, 950. [all data]
Egdell, Green, et al., 1975, 2
Egdell, R.; Green, J.C.; Rao, C.N.R.; Gowenlock, B.G.; Pfab, J.,
He(I) photoelectron studies of C-nitroso compounds,
J. Chem. Soc. Faraday Trans. 2, 1975, 988. [all data]
Baker, May, et al., 1968
Baker, A.D.; May, D.P.; Turner, D.W.,
Molecular photoelectron spectroscopy. Part VII. The vertical ionisation potentials of benzene and some of its monosubstituted and 1,4-disubstituted derivatives,
J. Chem. Soc. B, 1968, 22. [all data]
Carmichael, Gowenlock, et al., 1972
Carmichael, P.J.; Gowenlock, B.G.; Johnson, C.A.F.,
Carbon-nitrogen bond dissociation energy values in C-nitrosocompounds,
Int. J. Chem. Kinet., 1972, 4, 339. [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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