Anilino radical
- Formula: C6H6N
- Molecular weight: 92.1185
- IUPAC Standard InChIKey: HSMPSHPWCOOUJH-UHFFFAOYSA-N
- CAS Registry Number: 2348-49-4
- Chemical structure:
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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C6H6N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 949.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 917.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.6070 ± 0.0040 | LPES | Wren, Vogelhuber, et al., 2012 | B |
1.704 ± 0.030 | LPD | Drzaic and Brauman, 1984 | B |
1.686 ± 0.091 | D-EA | Bartmess, Scott, et al., 1979 | value altered from reference due to change in acidity scale; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.3 ± 0.1 | EI | Palmer and Lossing, 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.
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]
Wren, Vogelhuber, et al., 2012
Wren, S.W.; Vogelhuber, K.M.; Ichino, T.; Stanton, J.F.; Lineberger, W.C.,
Photoelectron Spectroscopy of Anilinide and Acidity of Aniline,
J. Phys. Chem. A, 2012, 116, 12, 3118-3123, https://doi.org/10.1021/jp211463r
. [all data]
Drzaic and Brauman, 1984
Drzaic, P.S.; Brauman, J.I.,
A determination of the singlet-triplet splitting in phenylnitrene via photoelectron detachment,
J. Phys. Chem., 1984, 88, 5285. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Palmer and Lossing, 1963
Palmer, T.F.; Lossing, F.P.,
Free radicals by mass spectrometry. XXX. Ionization potentials of anilino and 2-, 3-, and 4-pyridylmethyl radicals,
J. Am. Chem. Soc., 1963, 85, 1733. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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