HO anion


Reaction thermochemistry 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 compiled by: John E. Bartmess

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Individual Reactions

HO- + Water = (HO- • Water)

By formula: HO- + H2O = (HO- • H2O)

Quantity Value Units Method Reference Comment
Δr120. ± 30.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr80.3 ± 4.2kJ/molTDAsPaul and Kebarle, 1990gas phase
Δr84.1 ± 6.7kJ/molTDEqMeot-Ner and Sieck, 1986gas phase
Δr83.7 ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase
Δr77.82kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase

HO- + Hydrogen cation = Water

By formula: HO- + H+ = H2O

Quantity Value Units Method Reference Comment
Δr1633.141 ± 0.042kJ/molD-EASmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δr1622.1kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7
Quantity Value Units Method Reference Comment
Δr1605.57 ± 0.25kJ/molH-TSSmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δr1594.5kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7

(HO- • Water) + Water = (HO- • 2Water)

By formula: (HO- • H2O) + H2O = (HO- • 2H2O)

Quantity Value Units Method Reference Comment
Δr73.6 ± 4.2kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase
Δr74.9 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase
Quantity Value Units Method Reference Comment
Δr46.9 ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase
Δr48.53kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase

HO- + Iron pentacarbonyl = (HO- • Iron pentacarbonyl)

By formula: HO- + C5FeO5 = (HO- • C5FeO5)

Quantity Value Units Method Reference Comment
Δr254. ± 14.kJ/molIMRESunderlin and Squires, 1993gas phase; HO- transfer equilibrium to SO2. Structure thought ot be (CO)4Fe-CO2H
Δr237. ± 17.kJ/molIMRBLane, Sallans, et al., 1985gas phase
Quantity Value Units Method Reference Comment
Δr196. ± 17.kJ/molIMRBLane, Sallans, et al., 1985gas phase

HO- + Carbon dioxide = (HO- • Carbon dioxide)

By formula: HO- + CO2 = (HO- • CO2)

Quantity Value Units Method Reference Comment
Δr213. ± 10.kJ/molCIDTSquires, 1992gas phase; Dissociative protonation threshold at nPrSH, 9 kcal> calc. CIDC(HOCO2-..HSH) = 7:1 HOCO2-
Δr366.5kJ/molEndoHierl and Paulson, 1984gas phase; Implies ΔHacid = 291.4, anion appears too stable - JEB

HO- + Sulfur dioxide = (HO- • Sulfur dioxide)

By formula: HO- + O2S = (HO- • O2S)

Quantity Value Units Method Reference Comment
Δr259. ± 12.kJ/molCIDTSquires, 1992gas phase; Dissociative protonation between HCl, MeCHClCO2H
Δr>213. ± 13.kJ/molIMRBHierl and Paulson, 1984gas phase; CO2..HO- + SO2 ->. data revised per 92SQU

(HO- • 2Water) + Water = (HO- • 3Water)

By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)

Quantity Value Units Method Reference Comment
Δr63.2 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase
Δr67.8 ± 4.2kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase
Quantity Value Units Method Reference Comment
Δr38. ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase

(HO- • 7Water) + Water = (HO- • 8Water)

By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)

Quantity Value Units Method Reference Comment
Δr41. ± 4.2kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; Entropy estimated
Quantity Value Units Method Reference Comment
Δr11. ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; Entropy estimated

(HO- • 3Nitrous oxide) + Nitrous oxide = (HO- • 4Nitrous oxide)

By formula: (HO- • 3N2O) + N2O = (HO- • 4N2O)

Quantity Value Units Method Reference Comment
Δr>30. ± 140.kJ/molN/AKim, Wenthold, et al., 1998gas phase; Vertical Detachment Energy: 2.981 eV. Affinity is EA difference with next lower +0.08 eV f

(HO- • 4Nitrous oxide) + Nitrous oxide = (HO- • 5Nitrous oxide)

By formula: (HO- • 4N2O) + N2O = (HO- • 5N2O)

Quantity Value Units Method Reference Comment
Δr>20. ± 230.kJ/molN/AKim, Wenthold, et al., 1998gas phase; Vertical Detachment Energy: 3.146 eV. Affinity is EA difference with next lower +0.08 eV f

(HO- • 2Nitrous oxide) + Nitrous oxide = (HO- • 3Nitrous oxide)

By formula: (HO- • 2N2O) + N2O = (HO- • 3N2O)

Quantity Value Units Method Reference Comment
Δr28.9kJ/molN/AKim, Wenthold, et al., 1998gas phase; Vertical Detachment Energy: 2.761 eV. Affinity is EA difference with next lower +0.08 eV f

(HO- • Nitrous oxide) + Nitrous oxide = (HO- • 2Nitrous oxide)

By formula: (HO- • N2O) + N2O = (HO- • 2N2O)

Quantity Value Units Method Reference Comment
Δr32.6kJ/molN/AKim, Wenthold, et al., 1998gas phase; Vertical Detachment Energy: 2.485 eV. Affinity is EA difference with next lower +0.08 eV f

(HO- • 3Water) + Water = (HO- • 4Water)

By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)

Quantity Value Units Method Reference Comment
Δr50.21kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase
Quantity Value Units Method Reference Comment
Δr24. ± 5.9kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase

(HO- • 4Water) + Water = (HO- • 5Water)

By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)

Quantity Value Units Method Reference Comment
Δr48.12kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase
Quantity Value Units Method Reference Comment
Δr18. ± 5.9kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase

(HO- • 5Water) + Water = (HO- • 6Water)

By formula: (HO- • 5H2O) + H2O = (HO- • 6H2O)

Quantity Value Units Method Reference Comment
Δr46.86kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase
Quantity Value Units Method Reference Comment
Δr18. ± 5.9kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase

(HO- • 6Water) + Water = (HO- • 7Water)

By formula: (HO- • 6H2O) + H2O = (HO- • 7H2O)

Quantity Value Units Method Reference Comment
Δr43.51kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase
Quantity Value Units Method Reference Comment
Δr13. ± 5.9kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase

HO- = HN2O2-

By formula: HO- = HN2O2-

Quantity Value Units Method Reference Comment
Δr35.6kJ/molN/AKim, Wenthold, et al., 1998gas phase; Vertical Detachment Energy: 2.189 eV. Affinity is EA difference with next lower +0.08 eV f

HO- + Ammonia = H4NO-

By formula: HO- + H3N = H4NO-

Quantity Value Units Method Reference Comment
Δr50.21kJ/molN/ASchwartz, Davico, et al., 2000gas phase; Vertical Detachment Energy: 2.54±0.015 eV. Affinity is from difference in EAs

HO- = CHO2-

By formula: HO- = CHO2-

Quantity Value Units Method Reference Comment
Δr76.3 ± 2.5kJ/molN/AJohnson, Harding, et al., 2011gas phase; trans isomer. See Wang, Li, et al., 2014 for computational analysis

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 compiled by: John E. Bartmess

Protonation reactions

HO- + Hydrogen cation = Water

By formula: HO- + H+ = H2O

Quantity Value Units Method Reference Comment
Δr1633.141 ± 0.042kJ/molD-EASmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δr1622.1kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7
Quantity Value Units Method Reference Comment
Δr1605.57 ± 0.25kJ/molH-TSSmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δr1594.5kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7

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.

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Meot-Ner (Mautner) and Speller, 1986
Meot-Ner (Mautner), M.; Speller, C.V., The Filling of Solvent Shells in Cluster Ions: Thermochemical Criteria nd the Effects of Isomeric Clusters, J. Phys. Chem., 1986, 90, 25, 6616, https://doi.org/10.1021/j100283a006 . [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO2-, NO3-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [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]

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]

Sunderlin and Squires, 1993
Sunderlin, L.S.; Squires, R.R., Energetics and Mechanism of the Thermal Decarboxylation of (CO)4FeCOOH- in the Gas Phase, J. Am. Chem. Soc., 1993, 115, 1, 337, https://doi.org/10.1021/ja00054a048 . [all data]

Lane, Sallans, et al., 1985
Lane, K.R.; Sallans, L.; Squires, R.R., Anion affinities of transition metal carbonyls. A thermochemical correlation for iron tetracarbonyl acyl negative ions, J. Am. Chem. Soc., 1985, 107, 5369. [all data]

Squires, 1992
Squires, R.R., Gas Phase Thermochemical Properties of the Bicarbonate and Bisulfate Ions, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 565, https://doi.org/10.1016/0168-1176(92)80114-G . [all data]

Hierl and Paulson, 1984
Hierl, P.M.; Paulson, J.F., Translational energy dependence of cross sections for reactions of OH- (H2O)n with CO2 and SO2, J. Chem. Phys., 1984, 80, 4890. [all data]

Kim, Wenthold, et al., 1998
Kim, J.B.; Wenthold, P.G.; Lineberger, W.C., Photoelectron spectroscopy of OH-(N2O)(n=1-5), J. Chem. Phys., 1998, 108, 3, 830-837, https://doi.org/10.1063/1.475447 . [all data]

Schwartz, Davico, et al., 2000
Schwartz, R.L.; Davico, G.E.; Kim, J.B.; Lineberger, C.W., Negative Ion Photoelectron Spectroscopy of OH-(NH3), J. Chem. Phys., 2000, 112, 11, 4966, https://doi.org/10.1063/1.481051 . [all data]

Johnson, Harding, et al., 2011
Johnson, C.J.; Harding, M.E.; Poad, B.L.J.; Stanton, J.F.; Continetti, R.E., Electron Affinities, Well Depths, and Vibrational Spectroscopy of cis- and trans-HOCO, J. Am. Chem. Soc., 2011, 133, 49, 19606-19609, https://doi.org/10.1021/ja207724f . [all data]

Wang, Li, et al., 2014
Wang, J.; Li, J.; Ma, J.Y.; Guo, H., Full-dimensional characterization of photoelectron spectra of HOCO- and DOCO- and tunneling facilitated decay of HOCO prepared by anion photodetachment, Journal Of Chemical Physics, 2014, 140, 18, 184314, https://doi.org/10.1063/1.4874975 . [all data]


Notes

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