Hydrogen peroxide
- Formula: H2O2
- Molecular weight: 34.0147
- IUPAC Standard InChI: InChI=1S/H2O2/c1-2/h1-2H
- IUPAC Standard InChIKey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
- CAS Registry Number: 7722-84-1
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, References, Notes
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 ± 0.04 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 161.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 153.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.62 | PE | Ashmore and Burgess, 1977 | LLK |
| 10.54 | PE | Brown, 1975 | LLK |
| 10.92 ± 0.05 | EI | Foner and Hudson, 1962 | RDSH |
| 11.26 ± 0.05 | EI | Lindeman and Guffy, 1958 | RDSH |
| 11.7 | PE | Ashmore and Burgess, 1977 | Vertical value; LLK |
| 11.69 | PE | Osafune and Kimura, 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| OH+ | 15.35 ± 0.10 | OH | EI | Foner and Hudson, 1962 | RDSH |
| OH+ | 15.60 ± 0.08 | OH | EI | Lindeman and Guffy, 1958 | RDSH |
| HO2+ | 15.36 ± 0.05 | H | EI | Foner and Hudson, 1962, 2 | RDSH |
| H2O+ | 14.09 ± 0.10 | O | EI | Foner and Hudson, 1962 | RDSH |
| O+ | 17.0 ± 1.0 | H2O | EI | Foner and Hudson, 1962 | RDSH |
| O2+ | 15.8 ± 0.5 | H2 | EI | Foner and Hudson, 1962 | RDSH |
De-protonation reactions
HO2- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 376.50 ± 0.50 | kcal/mol | G+TS | Ramond, Blanksby, et al., 2002 | gas phase; versus HCCH; B |
| ΔrH° | 375.6 ± 2.1 | kcal/mol | G+TS | Bierbaum, Schmidt, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 369.50 ± 0.40 | kcal/mol | IMRE | Ramond, Blanksby, et al., 2002 | gas phase; versus HCCH; B |
| ΔrG° | 368.6 ± 2.0 | kcal/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas 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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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