Hydroperoxy radical
- Formula: HO2
- Molecular weight: 33.0067
- IUPAC Standard InChIKey: OUUQCZGPVNCOIJ-UHFFFAOYSA-N
- CAS Registry Number: 3170-83-0
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, References, Notes
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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.99 ± 0.72 | kcal/mol | D-EA | Travers, Cowles, et al., 1989 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 346.67 ± 0.82 | kcal/mol | H-TS | Travers, Cowles, et al., 1989 | gas phase |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, 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
View reactions leading to HO2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.35 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 158. | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 150.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
1.0780 ± 0.0060 | LPES | Ramond, Blanksby, et al., 2002 | Give dfH(HOO.) = 3.2±2.1 kcal/mol; B |
1.0760 ± 0.0060 | LPES | Clifford, Wenthold, et al., 1998 | Revised per G.B. Ellison, due to improper rotational correction in lit value: 1.084±0.006; B |
1.078 ± 0.017 | LPES | Oakes, Harding, et al., 1985 | B |
1.105 ± 0.091 | D-EA | Bierbaum, Schmidt, et al., 1981 | value altered from reference due to change in acidity scale; B |
1.88 ± 0.11 | Ther | Benson and Nangia, 1980 | From a solution phase thermodynamic cycle; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.35 ± 0.01 | PE | Dyke, Jonathan, et al., 1981 | LLK |
11.67 ± 0.15 | EI | Tal'roze, Butkovskaya, et al., 1978 | LLK |
11.53 ± 0.02 | EI | Foner and Hudson, 1955 | RDSH |
11.54 | PE | Dyke, Jonathan, et al., 1981 | Vertical value; LLK |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 352.99 ± 0.72 | kcal/mol | D-EA | Travers, Cowles, et al., 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 346.67 ± 0.82 | kcal/mol | H-TS | Travers, Cowles, et al., 1989 | gas phase; B |
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.
Travers, Cowles, et al., 1989
Travers, M.J.; Cowles, D.C.; Ellison, G.B.,
Reinvestigation of the Electron Affinities of O2 and NO,
Chem. Phys. Lett., 1989, 164, 5, 449, https://doi.org/10.1016/0009-2614(89)85237-6
. [all data]
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]
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]
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]
Oakes, Harding, et al., 1985
Oakes, J.M.; Harding, L.B.; Ellison, G.B.,
The photoelectron spectroscopy of HO2-,
J. Chem. Phys., 1985, 83, 5400. [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]
Benson and Nangia, 1980
Benson, S.W.; Nangia, P.S.,
Electron affinity of HO2. and HOx radicals,
J. Am. Chem. Soc., 1980, 102, 2843. [all data]
Dyke, Jonathan, et al., 1981
Dyke, J.M.; Jonathan, N.B.H.; Morris, A.; Winter, M.,
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 13. Observation of the X3A state of HO2,
Mol. Phys., 1981, 44, 1059. [all data]
Tal'roze, Butkovskaya, et al., 1978
Tal'roze, V.L.; Butkovskaya, N.I.; Larichev, M.N.; Leipunskii, I.O.; Morozov, I.I.; Dodonov, A.F.; Kudrov, B.V.; Zelenov, V.V.; Raznikov, V.V.,
Advances in the mass spectrometry of free radicals,
Adv. Mass Spectrom., 1978, 7, 693. [all data]
Foner and Hudson, 1955
Foner, S.N.; Hudson, R.L.,
Ionization potential of the free HO2 radical and the H-O2 bond dissociation energy,
J. Chem. Phys., 1955, 23, 1364. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity 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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