tBuOO 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

C4H9O2- + Hydrogen cation = tert-Butyl Hydroperoxide

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Δr370.9 ± 2.1kcal/molG+TSClifford, Wenthold, et al., 1998gas phase
Quantity Value Units Method Reference Comment
Δr363.2 ± 2.0kcal/molIMREClifford, Wenthold, et al., 1998gas phase

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
1.196 ± 0.011LPESClifford, Wenthold, et al., 1998 

Protonation reactions

C4H9O2- + Hydrogen cation = tert-Butyl Hydroperoxide

By formula: C4H9O2- + H+ = C4H10O2

Quantity Value Units Method Reference Comment
Δr370.9 ± 2.1kcal/molG+TSClifford, Wenthold, et al., 1998gas phase
Quantity Value Units Method Reference Comment
Δr363.2 ± 2.0kcal/molIMREClifford, Wenthold, et al., 1998gas phase

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.

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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