mBr-C6H4CH2 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

C7H6Br- + Hydrogen cation = Benzene, 1-bromo-3-methyl-

By formula: C7H6Br- + H+ = C7H7Br

Quantity Value Units Method Reference Comment
Δr373.6 ± 3.1kcal/molG+TSWenthold, Wierschke, et al., 1994gas phase; Between MeOCH2CH2OH and tBuCH2OH, near CH2Cl2
Quantity Value Units Method Reference Comment
Δr366.5 ± 3.0kcal/molIMRBWenthold, Wierschke, et al., 1994gas phase; Between MeOCH2CH2OH and tBuCH2OH, near CH2Cl2

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
1.3070 ± 0.0080LPESKim, Wenthold, et al., 1999 

Protonation reactions

C7H6Br- + Hydrogen cation = Benzene, 1-bromo-3-methyl-

By formula: C7H6Br- + H+ = C7H7Br

Quantity Value Units Method Reference Comment
Δr373.6 ± 3.1kcal/molG+TSWenthold, Wierschke, et al., 1994gas phase; Between MeOCH2CH2OH and tBuCH2OH, near CH2Cl2
Quantity Value Units Method Reference Comment
Δr366.5 ± 3.0kcal/molIMRBWenthold, Wierschke, et al., 1994gas phase; Between MeOCH2CH2OH and tBuCH2OH, near CH2Cl2

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.

Wenthold, Wierschke, et al., 1994
Wenthold, P.G.; Wierschke, S.G.; Nash, J.J.; Squires, R.R., Biradical thermochemistry from collision-induced dissociation threshold energy measurements .2. Experimental and theoretical studies of the Mechanism and Thermochemistry of Formation of alph, J. Am. Chem. Soc., 1994, 116, 16, 7378, https://doi.org/10.1021/ja00095a048 . [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]


Notes

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