furanide anion
- Formula: C4H3O-
- Molecular weight: 67.0666
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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 |
|---|---|---|---|
| 1.8530 ± 0.0040 | LPES | Vogelhuber, Wren, et al., 2011 |
Protonation reactions
C4H3O- + =
By formula: C4H3O- + H+ = C4H4O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 391.07 ± 0.36 | kcal/mol | G+TS | Grabowski and Owusu | gas phase |
| ΔrH° | 388.2 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Order:H2O < furan < 2-Me-furan < MeOH. D exchange indicates anion at C-2. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 382.90 ± 0.20 | kcal/mol | IMRE | Grabowski and Owusu | gas phase |
| ΔrG° | 380.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Order:H2O < furan < 2-Me-furan < MeOH. D exchange indicates anion at C-2. |
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.
Vogelhuber, Wren, et al., 2011
Vogelhuber, K.M.; Wren, S.W.; Sheps, L.; Lineberger, W.C.,
The C-H bond dissociation energy of furan: Photoelectron spectroscopy of the furanide anion,
J. Chem. Phys., 2011, 134, 6, 064302, https://doi.org/10.1063/1.3548873
. [all data]
Grabowski and Owusu
Grabowski, J.J.; Owusu, D.,
, as cited in 98CLI/WEN. [all data]
DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P.,
Formation and Reactions of Heteroaromatic Anions in the Gas Phase,
J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001
. [all data]
Notes
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- 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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