HO anion

Formula: HO^-
Molecular weight: 17.0079
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Reaction thermochemistry data

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Individual Reactions

HO^- + = (HO^- • )

By formula: HO^- + H₂O = (HO^- • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	120. ± 30.	kJ/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	80.3 ± 4.2	kJ/mol	TDAs	Paul and Kebarle, 1990	gas phase
Δ_rG°	84.1 ± 6.7	kJ/mol	TDEq	Meot-Ner and Sieck, 1986	gas phase
Δ_rG°	83.7 ± 5.9	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase
Δ_rG°	77.82	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase

HO^- + =

By formula: HO^- + H⁺ = H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1633.141 ± 0.042	kJ/mol	D-EA	Smith, Kim, et al., 1997	gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δ_rH°	1622.1	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; MnBr3-; ; ΔS(EA)=1.7
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1605.57 ± 0.25	kJ/mol	H-TS	Smith, Kim, et al., 1997	gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δ_rG°	1594.5	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; MnBr3-; ; ΔS(EA)=1.7

(HO^- • ) + = (HO^- • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.6 ± 4.2	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase
Δ_rH°	74.9 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	46.9 ± 5.9	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase
Δ_rG°	48.53	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase

HO^- + = (HO^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	254. ± 14.	kJ/mol	IMRE	Sunderlin and Squires, 1993	gas phase; HO- transfer equilibrium to SO2. Structure thought ot be (CO)4Fe-CO2H
Δ_rH°	237. ± 17.	kJ/mol	IMRB	Lane, Sallans, et al., 1985	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	196. ± 17.	kJ/mol	IMRB	Lane, Sallans, et al., 1985	gas phase

HO^- + = (HO^- • )

By formula: HO^- + CO₂ = (HO^- • CO₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	213. ± 10.	kJ/mol	CIDT	Squires, 1992	gas phase; Dissociative protonation threshold at nPrSH, 9 kcal> calc. CIDC(HOCO2-..HSH) = 7:1 HOCO2-
Δ_rH°	366.5	kJ/mol	Endo	Hierl and Paulson, 1984	gas phase; Implies ΔHacid = 291.4, anion appears too stable - JEB

HO^- + = (HO^- • )

By formula: HO^- + O₂S = (HO^- • O₂S)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	259. ± 12.	kJ/mol	CIDT	Squires, 1992	gas phase; Dissociative protonation between HCl, MeCHClCO2H
Δ_rH°	>213. ± 13.	kJ/mol	IMRB	Hierl and Paulson, 1984	gas phase; CO₂..HO^- + SO₂ ->. data revised per 92SQU

(HO^- • 2) + = (HO^- • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	63.2 ± 4.2	kJ/mol	TDAs	Payzant, Yamdagni, et al., 1971	gas phase
Δ_rH°	67.8 ± 4.2	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	38. ± 5.9	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase

(HO^- • 7) + = (HO^- • 8)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41. ± 4.2	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase; Entropy estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	11. ± 5.9	kJ/mol	TDAs	Meot-Ner (Mautner) and Speller, 1986	gas phase; Entropy estimated

(HO^- • 3) + = (HO^- • 4)

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

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

(HO^- • 4) + = (HO^- • 5)

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

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

(HO^- • 2) + = (HO^- • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	28.9	kJ/mol	N/A	Kim, Wenthold, et al., 1998	gas phase; Vertical Detachment Energy: 2.761 eV. Affinity is EA difference with next lower +0.08 eV f

(HO^- • ) + = (HO^- • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.6	kJ/mol	N/A	Kim, Wenthold, et al., 1998	gas phase; Vertical Detachment Energy: 2.485 eV. Affinity is EA difference with next lower +0.08 eV f

(HO^- • 3) + = (HO^- • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.21	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	24. ± 5.9	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase

(HO^- • 4) + = (HO^- • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.12	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 5.9	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase

(HO^- • 5) + = (HO^- • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.86	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 5.9	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase

(HO^- • 6) + = (HO^- • 7)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	43.51	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 5.9	kJ/mol	N/A	Meot-Ner (Mautner) and Speller, 1986	gas phase

HO^- = HN₂O₂^-

By formula: HO^- = HN₂O₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.6	kJ/mol	N/A	Kim, Wenthold, et al., 1998	gas phase; Vertical Detachment Energy: 2.189 eV. Affinity is EA difference with next lower +0.08 eV f

HO^- + = H₄NO^-

By formula: HO^- + H₃N = H₄NO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.21	kJ/mol	N/A	Schwartz, Davico, et al., 2000	gas 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
Δ_rH°	76.3 ± 2.5	kJ/mol	N/A	Johnson, Harding, et al., 2011	gas phase; trans isomer. See Wang, Li, et al., 2014 for computational analysis

Gas phase ion energetics data

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Data compiled by: John E. Bartmess

Protonation reactions

HO^- + =

By formula: HO^- + H⁺ = H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1633.141 ± 0.042	kJ/mol	D-EA	Smith, Kim, et al., 1997	gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δ_rH°	1622.1	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; MnBr3-; ; ΔS(EA)=1.7
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1605.57 ± 0.25	kJ/mol	H-TS	Smith, Kim, et al., 1997	gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014
Δ_rG°	1594.5	kJ/mol	N/A	Check, Faust, et al., 2001	gas phase; MnBr3-; ; ΔS(EA)=1.7

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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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Symbols used in this document:

Δ_rG° Free energy of reaction at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions