HCðCCðCCðC anion
- Formula: C6H-
- Molecular weight: 73.0727
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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 |
|---|---|---|---|
| 3.8090 ± 0.0010 | N/A | Garand, Yacovitch, et al., 2010 | Calns says linear H-terminated structure for anion |
| 3.7960 ± 0.0050 | LPD | Pino, Tulej, et al., 2002 | |
| 3.809 ± 0.015 | LPES | Taylor, Xu, et al., 1998 | |
| 3.96 ± 0.26 | D-EA | Natterer, Koch, et al., 1994 | Acidity between (Me3Si)2NH and 4-Me-pyrazole |
Protonation reactions
C6H- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1501. ± 21. | kJ/mol | D-EA | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion |
| ΔrH° | 1486. ± 13. | kJ/mol | G+TS | Natterer, Koch, et al., 1994 | gas phase; Acidity between (Me3Si)2NH and 4-Me-pyrazole |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1467. ± 21. | kJ/mol | H-TS | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion |
| ΔrG° | 1452. ± 13. | kJ/mol | IMRB | Natterer, Koch, et al., 1994 | gas phase; Acidity between (Me3Si)2NH and 4-Me-pyrazole |
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.
Garand, Yacovitch, et al., 2010
Garand, E.; Yacovitch, T.I.; Zhou, J.; Sheehan, S.M.; Neumark, D.M.,
Slow photoelectron velocity-map imaging of the CnH- (n=5-9) anions,
Chem. Sci., 2010, 1, 2, 192-201, https://doi.org/10.1039/c0sc00164c
. [all data]
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]
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]
Natterer, Koch, et al., 1994
Natterer, J.; Koch, W.; Schroder, D.; Goldberg, N.; Schwarz, H.,
Combined experimental and theoretical study of the C-H bond strength and the gas phase acidity of triacetylene, C6H2, and the electron affinity of the C6H. radical,
Chem. Phys. Lett., 1994, 229, 4-5, 429, https://doi.org/10.1016/0009-2614(94)01075-7
. [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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