1-naphthalenide anion
- Formula: C10H7-
- Molecular weight: 127.1631
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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 of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.403 ± 0.015 | LPES | Ervin, Ramond, et al., 2001 | |
| 1.431 ± 0.061 | CIDC | Lardin, Squires, et al., 2001 | |
| 1.370 ± 0.022 | CIDC | Reed and Kass, 2000 |
Protonation reactions
C10H7- + =
By formula: C10H7- + H+ = C10H8
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 394.2 ± 1.2 | kcal/mol | Bran | Reed and Kass, 2000 | gas phase |
| ΔrH° | 394.2 ± 1.2 | kcal/mol | TDEq | Meot-ner, Liebman, et al., 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
| ΔrH° | 394.0 ± 5.0 | kcal/mol | CIDC | Lardin, Squires, et al., 2001 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 385.6 ± 1.3 | kcal/mol | H-TS | Reed and Kass, 2000 | gas phase |
| ΔrG° | 383.8 ± 1.2 | kcal/mol | TDEq | Meot-ner, Liebman, et al., 1988 | gas phase; anchored to 88MEO scale, not the "87 acidity scale". The Kiefer, Zhang, et al., 1997 BDE is for ortho. |
| ΔrG° | 385.4 ± 5.1 | kcal/mol | H-TS | Lardin, Squires, et al., 2001 | gas phase |
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.
Ervin, Ramond, et al., 2001
Ervin, K.M.; Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Casey, S.M.; Lineberger, W.C.,
Naphthyl radical: Negative ion photoelectron spectroscopy, Franck-Condon simulation, and thermochemistry,
J. Phys. Chem. A, 2001, 105, 48, 10822-10831, https://doi.org/10.1021/jp011779h
. [all data]
Lardin, Squires, et al., 2001
Lardin, H.A.; Squires, R.R.; Wenthold, P.G.,
Determination of the electron affinities of alpha- and beta- naphthyl radicals using the kinetic method with full entropy analysis. The C-H bond dissociation energies of naphthalene,
J. Mass Spectrom., 2001, 36, 6, 607-615, https://doi.org/10.1002/jms.159
. [all data]
Reed and Kass, 2000
Reed, D.R.; Kass, S.R.,
Experimental determination of the alpha and beta C-H bond dissociation energies in naphthalene,
J. Mass Spectrom., 2000, 35, 4, 534-539, https://doi.org/10.1002/(SICI)1096-9888(200004)35:4<534::AID-JMS964>3.0.CO;2-T
. [all data]
Meot-ner, Liebman, et al., 1988
Meot-ner, M.; Liebman, J.F.; Kafafi, S.A.,
Ionic Probes of Aromaticity in Annelated Rings,
J. Am. Chem. Soc., 1988, 110, 18, 5937, https://doi.org/10.1021/ja00226a001
. [all data]
Kiefer, Zhang, et al., 1997
Kiefer, J.H.; Zhang, Q.; Kern, R.D.; Yao, J.; Jursic, B.,
Pyrolysis of Aromatic Azines: Pyrazine, Pyrimidine, and Pyridine,
J. Phys. Chem. A, 1997, 101, 38, 7061, https://doi.org/10.1021/jp970211z
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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