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Hydroxyl 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
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 HO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)13.017 ± 0.002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)141.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity134.8kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
1.82767LPDSmith, Kim, et al., 1997Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
1.827669 ± 0.000044LPDSchulz, Mead, et al., 1982Given: 1.82767±0.00021 eV; B
1.829 ± 0.010LPESCelotta, Bennett, et al., 1974B
1.8250 ± 0.0020LPDHotop, Patterson, et al., 1974B
1.830 ± 0.040PDBranscomb, 1966B
1.80 ± 0.20EIAETsuda and Hamill, 1964From MeOH,EtOH,nPrOH; B
1.80321N/ACheck, Faust, et al., 2001MnBr3-; ; «DELTA»S(EA)=1.7; B
1.89 ± 0.12SIPage and Goode, 1969The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
13.0170 ± 0.0002TEWiedmann, Tonkyn, et al., 1992LL
13.01PEVan Lonkhuyzen and De Lange, 1984LBLHLM
12.88DERBerkowitz, Appelman, et al., 1973LLK
13.5 ± 1.0EIUy, Srivastava, et al., 1971LLK
12.94DERDibeler, Walker, et al., 1966RDSH
13.2 ± 0.1EIFoner and Hudson, 1956RDSH
13.01PEKatsumata and Lloyd, 1977Vertical value; LLK

De-protonation reactions

O- + Hydrogen cation = Hydroxyl radical

By formula: O- + H+ = HO

Quantity Value Units Method Reference Comment
Deltar382.600 ± 0.010kcal/molD-EANeumark, Lykke, et al., 1985gas phase; Given: 1.461122(3) eV; revised to 1.4611107(17) eV, 95BLO, based on missing term+86CODATA; B
Quantity Value Units Method Reference Comment
Deltar376.73 ± 0.15kcal/molH-TSNeumark, Lykke, et al., 1985gas phase; Given: 1.461122(3) eV; revised to 1.4611107(17) eV, 95BLO, based on missing term+86CODATA; 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]

Smith, Kim, et al., 1997
Smith, J.R.; Kim, J.B.; Lineberger, W.C., High-resolution Threshold Photodetachment Spectroscopy of OH-, Phys. Rev. A, 1997, 55, 3, 2036, https://doi.org/10.1103/PhysRevA.55.2036 . [all data]

Schulz, Mead, et al., 1982
Schulz, P.A.; Mead, R.D.; Jones, P.L.; Lineberger, W.C., OH- and OD- threshold photodetachment, J. Chem. Phys., 1982, 77, 1153. [all data]

Celotta, Bennett, et al., 1974
Celotta, R.S.; Bennett, R.A.; Hall, J.L., Laser Photodetachment Determination of the Electron Affinities of OH, NH2, NH, SO2, and S2, J. Chem. Phys., 1974, 60, 5, 1740, https://doi.org/10.1063/1.1681268 . [all data]

Hotop, Patterson, et al., 1974
Hotop, H.; Patterson, T.A.; Lineberger, W.C., High resolution photodetachment study of OH- and OD- in the threshold region 7000-6450 Å, J. Chem. Phys., 1974, 60, 1806. [all data]

Branscomb, 1966
Branscomb, L.M., Photodetachment Cross Section, Electron Affinity, and Structure of the Negative Hydroxyl Ion, Phys. Rev., 1966, 148, 1, 11, https://doi.org/10.1103/PhysRev.148.11 . [all data]

Tsuda and Hamill, 1964
Tsuda, S.; Hamill, W.H., Ionization Efficiency Measurements by the Retarding Potential Difference Method, Adv. Mass Spectrom., 1964, 3, 249. [all data]

Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S., Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements, J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l . [all data]

Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]

Wiedmann, Tonkyn, et al., 1992
Wiedmann, R.T.; Tonkyn, R.G.; White, M.G.; Wang, K.; McKoy, V., Rotationally resolved threshold photoelectron spectra of OH and OD, J. Chem. Phys., 1992, 97, 768. [all data]

Van Lonkhuyzen and De Lange, 1984
Van Lonkhuyzen, H.; De Lange, C.A., U. V. photoelectron spectroscopy of OH and OD radicals, Mol. Phys., 1984, 51, 551. [all data]

Berkowitz, Appelman, et al., 1973
Berkowitz, J.; Appelman, E.H.; Chupka, W.A., Photoionization of HOF with mass analysis, J. Chem. Phys., 1973, 58, 1950. [all data]

Uy, Srivastava, et al., 1971
Uy, O.M.; Srivastava, R.D.; Farber, M., Mass spectrometric determination of the heats of formation of gaseous BO2 BOF2, High Temp. Sci., 1971, 3, 462. [all data]

Dibeler, Walker, et al., 1966
Dibeler, V.H.; Walker, J.A.; Rosenstock, H.M., Mass spectrometric study of photoionization. V.Water and ammonia, J.Res. NBS, 1966, 70A, 459. [all data]

Foner and Hudson, 1956
Foner, S.N.; Hudson, R.L., Ionization potential of the OH free radical by mass spectrometry, J. Chem. Phys., 1956, 25, 602. [all data]

Katsumata and Lloyd, 1977
Katsumata, S.; Lloyd, D.R., The photoelectron spectra of the OH and OD radicals, Chem. Phys. Lett., 1977, 45, 519. [all data]

Neumark, Lykke, et al., 1985
Neumark, D.M.; Lykke, K.R.; Andersen, T.; Lineberger, W.C., Laser photodetachment measurement of the electron affinity of atomic oxygen, Phys. Rev. A:, 1985, 32, 1890. [all data]


Notes

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