CH2=C(Me)CH2 anion
- Formula: C4H7-
- Molecular weight: 55.0989
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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
Protonation reactions
C4H7- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1644. ± 7.5 | kJ/mol | Endo | Wenthold, Hu, et al., 1999 | gas phase |
| ΔrH° | 1619. ± 8.4 | kJ/mol | D-EA | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrH° | 1633. ± 9.6 | kJ/mol | G+TS | Bartmess and Burnham, 1984 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1613. ± 7.9 | kJ/mol | H-TS | Wenthold, Hu, et al., 1999 | gas phase |
| ΔrG° | 1588. ± 8.8 | kJ/mol | H-TS | Wenthold, Polak, et al., 1996 | gas phase |
| ΔrG° | 1602. ± 9.2 | kJ/mol | IMRE | Bartmess and Burnham, 1984 | gas phase |
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.
Wenthold, Hu, et al., 1999
Wenthold, P.G.; Hu, J.; Squires, R.R.; Lineberger, W.C.,
Photoelectron spectroscopy of the trimethylenemethane negative ion,
J. Am. Soc. Mass Spectrom., 1999, 10, 9, 800-809, https://doi.org/10.1016/S1044-0305(99)00043-4
. [all data]
Wenthold, Polak, et al., 1996
Wenthold, P.G.; Polak, M.L.; Lineberger, W.C.,
Photoelectron Spectroscopy of the Allyl and 2-Methylallyl Anions,
J. Phys. Chem., 1996, 100, 17, 6920, https://doi.org/10.1021/jp953401n
. [all data]
Bartmess and Burnham, 1984
Bartmess, J.E.; Burnham, R.,
Effect of central substituents on the gas phase acidities of propenes,
J. Org. Chem., 1984, 49, 1382. [all data]
Notes
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- Symbols used in this document:
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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