Hydroperoxy radical

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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

View reactions leading to HO2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)11.35 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)660.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity627.5kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.0780 ± 0.0060LPESRamond, Blanksby, et al., 2002Give dfH(HOO.) = 3.2±2.1 kcal/mol; B
1.0760 ± 0.0060LPESClifford, Wenthold, et al., 1998Revised per G.B. Ellison, due to improper rotational correction in lit value: 1.084±0.006; B
1.078 ± 0.017LPESOakes, Harding, et al., 1985B
1.105 ± 0.091D-EABierbaum, Schmidt, et al., 1981value altered from reference due to change in acidity scale; B
1.88 ± 0.11TherBenson and Nangia, 1980From a solution phase thermodynamic cycle; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.35 ± 0.01PEDyke, Jonathan, et al., 1981LLK
11.67 ± 0.15EITal'roze, Butkovskaya, et al., 1978LLK
11.53 ± 0.02EIFoner and Hudson, 1955RDSH
11.54PEDyke, Jonathan, et al., 1981Vertical value; LLK

De-protonation reactions

Oxygen anion + Hydrogen cation = Hydroperoxy radical

By formula: O2- + H+ = HO2

Quantity Value Units Method Reference Comment
Δr1476.9 ± 3.0kJ/molD-EATravers, Cowles, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr1450.5 ± 3.4kJ/molH-TSTravers, Cowles, et al., 1989gas phase; B


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]

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]

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]


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