phenide anion
- Formula: C6H5-
- Molecular weight: 77.1044
- CAS Registry Number: 30922-78-2
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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
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° | 1678.7 ± 2.1 | kJ/mol | G+TS | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale |
ΔrH° | 1678.5 ± 0.88 | kJ/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase |
ΔrH° | 1677. ± 10. | kJ/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase |
ΔrH° | 1680. ± 42. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | 1665. ± 23. | kJ/mol | G+TS | Bohme and Young, 1971 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1641.8 ± 1.7 | kJ/mol | IMRE | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale |
ΔrG° | 1636. ± 8.4 | kJ/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase |
ΔrG° | 1632. ± 27. | kJ/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase |
ΔrG° | 1628. ± 23. | 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° | 1678.7 ± 2.1 | kJ/mol | G+TS | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale |
ΔrH° | 1678.5 ± 0.88 | kJ/mol | D-EA | Gunion, Gilles, et al., 1992 | gas phase |
ΔrH° | 1677. ± 10. | kJ/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase |
ΔrH° | 1680. ± 42. | kJ/mol | CIDT | Graul and Squires, 1990 | gas phase |
ΔrH° | 1665. ± 23. | kJ/mol | G+TS | Bohme and Young, 1971 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1641.8 ± 1.7 | kJ/mol | IMRE | Davico, Bierbaum, et al., 1995 | gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale |
ΔrG° | 1636. ± 8.4 | kJ/mol | TDEq | Meot-ner and Sieck, 1986 | gas phase |
ΔrG° | 1632. ± 27. | kJ/mol | IMRB | Bartmess and McIver Jr., 1979 | gas phase |
ΔrG° | 1628. ± 23. | 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.
Davico, Bierbaum, et al., 1995
Davico, G.E.; Bierbaum, V.M.; Depuy, C.H.; Ellison, G.B.; Squires, R.R.,
The C-H bond energy of benzene,
J. Am. Chem. Soc., 1995, 117, 9, 2590, https://doi.org/10.1021/ja00114a023
. [all data]
Ervin and DeTuro, 2002
Ervin, K.M.; DeTuro, V.F.,
Anchoring the gas-phase acidity scale,
J. Phys. Chem. A, 2002, 106, 42, 9947-9956, https://doi.org/10.1021/jp020594n
. [all data]
Alecu, Gao, et al., 2007
Alecu, I.M.; Gao, Y.D.; Hsieh, P.C.; Sand, J.P.; Ors, A.; McLeod, A.; Marshall, P.,
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5,
J. Phys. Chem. A, 2007, 111, 19, 3970-3976, https://doi.org/10.1021/jp067212o
. [all data]
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]
Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W.,
Relative acidities of water and methanol, and the stabilities of the dimer adducts,
J. Phys. Chem., 1986, 90, 6687. [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]
Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr.,
The Gas Phase Acidity Scale
in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [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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