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Hydrogen peroxide

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.58 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)674.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity643.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.62PEAshmore and Burgess, 1977LLK
10.54PEBrown, 1975LLK
10.92 ± 0.05EIFoner and Hudson, 1962RDSH
11.26 ± 0.05EILindeman and Guffy, 1958RDSH
11.7PEAshmore and Burgess, 1977Vertical value; LLK
11.69PEOsafune and Kimura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
OH+15.35 ± 0.10OHEIFoner and Hudson, 1962RDSH
OH+15.60 ± 0.08OHEILindeman and Guffy, 1958RDSH
HO2+15.36 ± 0.05HEIFoner and Hudson, 1962, 2RDSH
H2O+14.09 ± 0.10OEIFoner and Hudson, 1962RDSH
O+17.0 ± 1.0H2OEIFoner and Hudson, 1962RDSH
O2+15.8 ± 0.5H2EIFoner and Hudson, 1962RDSH

De-protonation reactions

HO2- + Hydrogen cation = Hydrogen peroxide

By formula: HO2- + H+ = H2O2

Quantity Value Units Method Reference Comment
Deltar1575.3 ± 2.1kJ/molG+TSRamond, Blanksby, et al., 2002gas phase; versus HCCH; B
Deltar1572. ± 8.8kJ/molG+TSBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1546.0 ± 1.7kJ/molIMRERamond, Blanksby, et al., 2002gas phase; versus HCCH; B
Deltar1542. ± 8.4kJ/molIMREBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale; 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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ashmore and Burgess, 1977
Ashmore, F.S.; Burgess, A.R., Study of Some Medium Size Alcohols and Hydroperoxides by Photoelectron Spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1247. [all data]

Brown, 1975
Brown, R.S., A photoelectron investigation of the peroxide bond, Can. J. Chem., 1975, 53, 3439. [all data]

Foner and Hudson, 1962
Foner, S.N.; Hudson, R.L., Ionization and dissociation of hydrogen peroxide by electron impact, J. Chem. Phys., 1962, 36, 2676. [all data]

Lindeman and Guffy, 1958
Lindeman, L.P.; Guffy, J.C., Determination of the O-O bond energy in hydrogen peroxide by electron impact, J. Chem. Phys., 1958, 29, 247. [all data]

Osafune and Kimura, 1974
Osafune, K.; Kimura, K., Photoelectron spectroscopic study of hydrogen peroxide, Chem. Phys. Lett., 1974, 25, 47. [all data]

Foner and Hudson, 1962, 2
Foner, S.N.; Hudson, R.L., Mass spectrometry of the HO2 free radical, J. Chem. Phys., 1962, 36, 2681. [all data]

Ramond, Blanksby, et al., 2002
Ramond, T.M.; Blanksby, S.J.; Kato, S.; Bierbaum, V.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.; Elliso, Heat of formation of the hydroperoxyl radical HOO via negative ion studies, J. Phys. Chem. A, 2002, 106, 42, 9641-9647, https://doi.org/10.1021/jp014614h . [all data]

Bierbaum, Schmidt, et al., 1981
Bierbaum, V.M.; Schmidt, R.J.; DePuy, C.H.; Mead, R.H.; Schulz, P.A.; Lineberger, W.C., Reactions of carbanions with triplet and singlet molecular oxygen, J. Am. Chem. Soc., 1981, 103, 6262. [all data]


Notes

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