Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Hydroperoxy radical

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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

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
Deltar1476.9 ± 3.0kJ/molD-EATravers, Cowles, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Deltar1450.5 ± 3.4kJ/molH-TSTravers, Cowles, et al., 1989gas phase; 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]

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]


Notes

Go To: Top, Gas phase ion energetics data, References