oCl-phenide anion


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

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr1618. ± 8.8kJ/molG+TSAndrade and Riveros, 1996gas phase
Δr1624. ± 8.4kJ/molBranWenthold and Squires, 1995gas phase
Δr1622. ± 13.kJ/molG+TSWenthold, Paulino, et al., 1991gas phase; Between PhF, furan
Quantity Value Units Method Reference Comment
Δr1584. ± 8.4kJ/molIMREAndrade and Riveros, 1996gas phase
Δr1590. ± 8.8kJ/molH-TSWenthold and Squires, 1995gas phase
Δr1588. ± 13.kJ/molIMRBWenthold, Paulino, et al., 1991gas phase; Between PhF, furan
Δr1586. ± 21.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH

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
1.75 ± 0.16D-EAAndrade and Riveros, 1996 

Protonation reactions

C6H4Cl- + Hydrogen cation = Benzene, chloro-

By formula: C6H4Cl- + H+ = C6H5Cl

Quantity Value Units Method Reference Comment
Δr1618. ± 8.8kJ/molG+TSAndrade and Riveros, 1996gas phase
Δr1624. ± 8.4kJ/molBranWenthold and Squires, 1995gas phase
Δr1622. ± 13.kJ/molG+TSWenthold, Paulino, et al., 1991gas phase; Between PhF, furan
Quantity Value Units Method Reference Comment
Δr1584. ± 8.4kJ/molIMREAndrade and Riveros, 1996gas phase
Δr1590. ± 8.8kJ/molH-TSWenthold and Squires, 1995gas phase
Δr1588. ± 13.kJ/molIMRBWenthold, Paulino, et al., 1991gas phase; Between PhF, furan
Δr1586. ± 21.kJ/molIMRBBartmess and McIver Jr., 1979gas phase; Between H2O, MeOH

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.

Andrade and Riveros, 1996
Andrade, P.B.M.; Riveros, J.M., Relative Gas-phase Acidities of Fluoro- and Chlorobenzene, J. Mass Spectrom., 1996, 31, 7, 767, https://doi.org/10.1002/(SICI)1096-9888(199607)31:7<767::AID-JMS345>3.0.CO;2-Q . [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method, J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105 . [all data]

Wenthold, Paulino, et al., 1991
Wenthold, P.G.; Paulino, J.A.; Squires, R.R., The Absolute Heats of Formation of ortho-Benzyne, meta-Benzyne, and para-Benzyne, J. Am. Chem. Soc., 1991, 113, 19, 7414, https://doi.org/10.1021/ja00019a044 . [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

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