Benzene, 1,4-bis(trifluoromethyl)-


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 as indicated in comments:
B - John E. Bartmess
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.43 ± 0.05EIGallegos and Klaver, 1967RDSH

De-protonation reactions

C8H3F6- + Hydrogen cation = Benzene, 1,4-bis(trifluoromethyl)-

By formula: C8H3F6- + H+ = C8H4F6

Quantity Value Units Method Reference Comment
Δr375.2 ± 3.1kcal/molG+TSSchlosser, Mongin, et al., 1998gas phase; B
Quantity Value Units Method Reference Comment
Δr366.6 ± 3.0kcal/molIMRESchlosser, Mongin, et al., 1998gas phase; B

Mass spectrum (electron ionization)

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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-IW-2617
NIST MS number 234600

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References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gallegos and Klaver, 1967
Gallegos, E.J.; Klaver, R.F., Automatic voltage scanner for a peak switching mass spectrometer, J.Sci. Instr., 1967, 44, 427. [all data]

Schlosser, Mongin, et al., 1998
Schlosser, M.; Mongin, F.; Porwisiak, J.; Dmowski, W.; Buker, H.H.; Nibbering, N.M.M., Bis- and Oligo(trifluoromethyl)benzenes: Hydrogen/Metal Exchange Rates and Gas-Phase Acidities., Chem. Eur. J., 1998, 4, 7, 1281, https://doi.org/10.1002/(SICI)1521-3765(19980710)4:7<1281::AID-CHEM1281>3.0.CO;2-I . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References