PhN radical
- Formula: C6H5N
- Molecular weight: 91.1106
- CAS Registry Number: 2655-25-6
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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 by: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.461 ± 0.013 | LPD | Drzaic and Brauman, 1984 | |
| 1.429 ± 0.011 | LPD | Mcdonald and Davidson, 1993 | Singlet-triplet gap: 18.3±0.7 kcal/mol |
| 1.450 ± 0.020 | LPES | Travers, Cowles, et al., 1992 | Reanalysis ( Wijeratne, Da Fonte, et al., 2009) indicates neutral singlet is 14.8±0.5 kcal/mol higher than triplet |
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.
Drzaic and Brauman, 1984
Drzaic, P.S.; Brauman, J.I.,
A determination of the singlet-triplet splitting in phenylnitrene via photoelectron detachment,
J. Am. Chem. Soc., 1984, 106, 3443. [all data]
Mcdonald and Davidson, 1993
Mcdonald, R.N.; Davidson, S.J.,
Electron Photodetachment of the Phenylnitrene Anion Radical - EA, ΔH(degrees(f), and the Singlet Triplet Splitting for Phenylnitrene,
J. Chem. Soc. Chem. Comm., 1993, 115, 23, 10857, https://doi.org/10.1021/ja00076a049
. [all data]
Travers, Cowles, et al., 1992
Travers, M.J.; Cowles, D.C.; Clifford, E.P.; Ellison, G.B.,
Photoelectron Spectroscopy of the Phenylnitrene Anion,
J. Am. Chem. Soc., 1992, 114, 22, 8699, https://doi.org/10.1021/ja00048a053
. [all data]
Wijeratne, Da Fonte, et al., 2009
Wijeratne, N.R.; Da Fonte, M.; Ronenius, A.; Wyss, P.J.; Tahmassebi, D.; Wenthold, P.G.,
Photoelectron Spectroscopy of Chloro-Substituted Phenylnitrene Anions,
J. Phys. Chem. A, 2009, 113, 34, 9467-9473, https://doi.org/10.1021/jp9039594
. [all data]
Notes
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- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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