1-naphthalenide anion
- Formula: C10H7-
- Molecular weight: 127.1631
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Reaction thermochemistry 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
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Individual 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 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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, Reaction thermochemistry data, 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.
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]
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]
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]
Notes
Go To: Top, Reaction thermochemistry data, 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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