phenide anion
- Formula: C6H5-
- Molecular weight: 77.1044
- CAS Registry Number: 30922-78-2
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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
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Individual Reactions
C6H5- + =
| 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 |
Vibrational and/or electronic energy levels
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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: Marilyn E. Jacox
State: ?
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| Td = 8840 ± 50 | gas | Gunion, Gilles, et al., 1992 | |||||
Additional references: Jacox, 1994, page 388
Notes
| d | Photodissociation threshold |
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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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