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2,3,4,6-tetraCl-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

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Individual Reactions

C6HCl4- + Hydrogen cation = Benzene, 1,2,4,5-tetrachloro-

By formula: C6HCl4- + H+ = C6H2Cl4

Quantity Value Units Method Reference Comment
Deltar363.3 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.
Quantity Value Units Method Reference Comment
Deltar355.4 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.

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

C6HCl4- + Hydrogen cation = Benzene, 1,2,4,5-tetrachloro-

By formula: C6HCl4- + H+ = C6H2Cl4

Quantity Value Units Method Reference Comment
Deltar363.3 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.
Quantity Value Units Method Reference Comment
Deltar355.4 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.

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.

Schlosser, Marzi, et al., 2001
Schlosser, M.; Marzi, E.; Cottet, F.; Buker, H.H.; Nibbering, N.M.M., The acidity of chloro-substituted benzenes: A comparison of gas phase, ab initio, and kinetic data, Chem. Eur. J., 2001, 7, 16, 3511-3516, https://doi.org/10.1002/1521-3765(20010817)7:16<3511::AID-CHEM3511>3.0.CO;2-U . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References