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tert-Butyl Hydroperoxide

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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
LL - Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference Comment
10.24PEBatich and Adam, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HO2+9.90C4H9EIHolmes, Lossing, et al., 1991LL

De-protonation reactions

C4H9O2- + Hydrogen cation = tert-Butyl Hydroperoxide

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Deltar370.9 ± 2.1kcal/molG+TSClifford, Wenthold, et al., 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar363.2 ± 2.0kcal/molIMREClifford, Wenthold, et al., 1998gas phase; 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.

Batich and Adam, 1974
Batich, C.; Adam, W., The photoelectron spectra of alkylperoxides, Tetrahedron Lett., 1974, 1467. [all data]

Holmes, Lossing, et al., 1991
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Heats of formation of oxygen-containing organic free radicals from appearance energy measurements, J. Am. Chem. Soc., 1991, 113, 9723. [all data]

Clifford, Wenthold, et al., 1998
Clifford, E.P.; Wenthold, P.G.; Gareyev, R.; Lineberger, W.C.; DePuy, C.H.; Bierbaum, V.M.; Ellison, G.B., Photoelectron spectroscopy, gas phase acidity, and thermochemistry of tert-butyl hydroperoxide: Mechanisms for the rearrangement of peroxyl radicals, J. Chem. Phys., 1998, 109, 23, 10293-10310, https://doi.org/10.1063/1.477725 . [all data]


Notes

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