tBuCH2O anion
- Formula: C5H11O-
- Molecular weight: 87.1408
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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 |
|---|---|---|---|
| 1.95 ± 0.13 | D-EA | Bartmess, Scott, et al., 1979 | value altered from reference due to change in acidity scale |
| 1.930 ± 0.050 | PD | Janousek, Zimmerman, et al., 1978 | |
| <1.930 ± 0.061 | PD | Reed and Brauman, 1975 |
Protonation reactions
C5H11O- + =
By formula: C5H11O- + H+ = C5H12O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 372.6 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 373.1 ± 2.3 | kcal/mol | D-EA | Janousek, Zimmerman, et al., 1978 | gas phase |
| ΔrH° | 372.7 ± 2.0 | kcal/mol | CIDC | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 366.0 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrG° | 366.5 ± 2.4 | kcal/mol | H-TS | Janousek, Zimmerman, et al., 1978 | gas phase |
| ΔrG° | 366.1 ± 2.1 | kcal/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy. |
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.
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Janousek, Zimmerman, et al., 1978
Janousek, B.K.; Zimmerman, A.H.; Reed, K.J.; Brauman, J.I.,
Electron detachment from aliphatic molecular anions. Gas phase electron affinites of methoxyl, tert-butoxyl, and neopentoxyl radicals,
J. Am. Chem. Soc., 1978, 100, 6142. [all data]
Reed and Brauman, 1975
Reed, K.J.; Brauman, J.I.,
Electron affinities of alkoxy radicals and the bond dissociation energies in aliphatic alcohols,
J. Am. Chem. Soc., 1975, 97, 1625. [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [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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