PhCH2 anion
- Formula: C7H7-
- Molecular weight: 91.1310
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1599.7 ± 1.9 | kJ/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase; Kim, Wenthold, et al., 1999, with LN2 cooling of the ion, gives the same EA |
ΔrH° | 1593. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1587. ± 8.8 | kJ/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
ΔrH° | 1577. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | 1609. ± 30. | kJ/mol | G+TS | Bohme and Young, 1971 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1564. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1557. ± 8.4 | kJ/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
ΔrG° | 1579. ± 29. | kJ/mol | IMRB | Bohme and Young, 1971 | 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
Protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1599.7 ± 1.9 | kJ/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase; Kim, Wenthold, et al., 1999, with LN2 cooling of the ion, gives the same EA |
ΔrH° | 1593. ± 8.8 | kJ/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 1587. ± 8.8 | kJ/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
ΔrH° | 1577. ± 15. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | 1609. ± 30. | kJ/mol | G+TS | Bohme and Young, 1971 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1564. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 1557. ± 8.4 | kJ/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
ΔrG° | 1579. ± 29. | kJ/mol | IMRB | Bohme and Young, 1971 | 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.
Gunion, Gilles, et al., 1992
Gunion, R.F.; Gilles, M.K.; Polak, M.L.; Lineberger, W.C.,
Ultraviolet Photoelectron Spectroscopy of the Phenide, Benzyl, and Phenoxide Anions.,
Int. J. Mass Spectrom. Ion Proc., 1992, 117, 601, https://doi.org/10.1016/0168-1176(92)80115-H
. [all data]
Kim, Wenthold, et al., 1999
Kim, J.B.; Wenthold, P.G.; Lineberger, W.C.,
Ultraviolet photoelectron spectroscopy of o-, m-, and p-halobenzyl anions,
J. Phys. Chem. A, 1999, 103, 50, 10833-10841, https://doi.org/10.1021/jp992817o
. [all data]
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]
Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C.,
Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes,
J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j
. [all data]
Graul and Squires, 1990
Graul, S.T.; Squires, R.R.,
Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions,
J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007
. [all data]
Bohme and Young, 1971
Bohme, D.K.; Young, L.B.,
Electron affinities from thermal proton transfer reactions: C6H5 and C6H5CH2,
Can. J. Chem., 1971, 49, 2918. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- 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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