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Benzene, (iodomethyl)-

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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
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.73 ± 0.02PITraeger and Kompe, 1990LL
8.8EIYeo and Williams, 1970RDSH
8.91PESchmidt and Schweig, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H7+8.84 ± 0.02IPITraeger and Kompe, 1990LL
C7H7+9.2IEIYeo and Williams, 1970RDSH

De-protonation reactions

C7H6I- + Hydrogen cation = Benzene, (iodomethyl)-

By formula: C7H6I- + H+ = C7H7I

Quantity Value Units Method Reference Comment
Deltar1556. ± 8.8kJ/molG+TSPoutsma, Nash, et al., 1997gas phase; between tBuCH(Me)OH, FCH2CH2OH; B
Quantity Value Units Method Reference Comment
Deltar1525. ± 8.4kJ/molIMRBPoutsma, Nash, et al., 1997gas phase; between tBuCH(Me)OH, FCH2CH2OH; B

References

Go To: Top, 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.

Traeger and Kompe, 1990
Traeger, J.C.; Kompe, B.M., Threshold C7H7 formation from the benzyl halides by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1990, 101, 111. [all data]

Yeo and Williams, 1970
Yeo, A.N.H.; Williams, D.H., Rearrangement in the molecular ions of halogenotoluenes prior to fragmentation in the mass spectrometer, Chem. Commun., 1970, 886. [all data]

Schmidt and Schweig, 1973
Schmidt, H.; Schweig, A., C-Hal hyperkonjugation, Tetrahedron Lett., 1973, 981. [all data]

Poutsma, Nash, et al., 1997
Poutsma, J.C.; Nash, J.J.; Paulino, J.A.; Squires, R.R., Absolute Heats of Formation of Phenylcarbene and Vinylcarbene, J. Am. Chem. Soc., 1997, 119, 20, 4686, https://doi.org/10.1021/ja963918s . [all data]


Notes

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