HCðCCðC anion
- Formula: C4H-
- Molecular weight: 49.0513
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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
C4H- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.3 ± 3.2 | kcal/mol | D-EA | Pino, Tulej, et al., 2002 | gas phase |
| ΔrH° | 360.4 ± 2.9 | kcal/mol | Endo | Shi and Ervin, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 352.1 ± 3.3 | kcal/mol | H-TS | Pino, Tulej, et al., 2002 | gas phase |
| ΔrG° | 352.2 ± 3.0 | kcal/mol | H-TS | Shi and Ervin, 2000 | 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 |
|---|---|---|---|
| 3.561 ± 0.010 | LPD | Pino, Tulej, et al., 2002 | |
| 3.558 ± 0.015 | LPES | Taylor, Xu, et al., 1998 |
Protonation reactions
C4H- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 360.3 ± 3.2 | kcal/mol | D-EA | Pino, Tulej, et al., 2002 | gas phase |
| ΔrH° | 360.4 ± 2.9 | kcal/mol | Endo | Shi and Ervin, 2000 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 352.1 ± 3.3 | kcal/mol | H-TS | Pino, Tulej, et al., 2002 | gas phase |
| ΔrG° | 352.2 ± 3.0 | kcal/mol | H-TS | Shi and Ervin, 2000 | 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.
Pino, Tulej, et al., 2002
Pino, T.; Tulej, M.; Guthe, F.; Pachkov, M.; Maier, J.P.,
Photodetachment spectroscopy of the C2nH- (n=2-4) anions in the vicinity of their electron detachment threshold,
J. Chem. Phys., 2002, 116, 14, 6126-6131, https://doi.org/10.1063/1.1451248
. [all data]
Shi and Ervin, 2000
Shi, Y.; Ervin, K.M.,
Gas-phase acidity and C-H bond energy of diacetylene,
Chem. Phys. Lett., 2000, 318, 1-3, 149-154, https://doi.org/10.1016/S0009-2614(00)00023-3
. [all data]
Taylor, Xu, et al., 1998
Taylor, T.R.; Xu, C.S.; Neumark, D.M.,
Photoelectron spectra of the C2nH- (n=1-4) and C2nD- (n=1-3) anions,
J. Chem. Phys., 1998, 108, 24, 10018-10026, https://doi.org/10.1063/1.476462
. [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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