Hydroxyl anion
- Formula: HO-
- Molecular weight: 17.0079
- IUPAC Standard InChI: InChI=1S/H2O/h1H2/p-1
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-M
- CAS Registry Number: 14280-30-9
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°gas,1 bar | 41.221 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
= (
•
)
By formula: HO- + H2O = (HO- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.0 ± 0.9 | kcal/mol | AVG | N/A | Average of 3 out of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 28.1 | cal/mol*K | PHPMS | Paul and Kebarle, 1990 | gas phase; M |
| ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrS° | 20.8 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| ΔrS° | 19.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
( •
) +
= (
• 2
)
By formula: (HO- • H2O) + H2O = (HO- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrH° | 18. | kcal/mol | CID | Hierl and Paulson, 1984 | gas phase; M |
| ΔrH° | 17.9 | kcal/mol | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| ΔrH° | 16.4 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
| ΔrH° | 23. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrS° | 21.2 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
| ΔrS° | 19.3 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
( • 3
) +
= (
• 4
)
By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrH° | 14.2 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrS° | 29.5 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.6 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
( • 2
) +
= (
• 3
)
By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrH° | 15.1 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
| ΔrH° | 18. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrS° | 24.8 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
( • 4
) +
= (
• 5
)
By formula: (HO- • 4H2O) + H2O = (HO- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrH° | 14.1 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| ΔrS° | 33.2 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
( • 7
) +
= (
• 8
)
By formula: (HO- • 7H2O) + H2O = (HO- • 8H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.9 | 245. | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
( • 4294967295
) +
=
By formula: (HO- • 4294967295O) + O = HO-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 127.44 | kcal/mol | N/A | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
| ΔrH° | 127.60 ± 0.20 | kcal/mol | Ther | Schulz, Mead, et al., 1982 | gas phase; Given: 1.82767±0.00021 eV; B |
( • 5
) +
= (
• 6
)
By formula: (HO- • 5H2O) + H2O = (HO- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
( • 6
) +
= (
• 7
)
By formula: (HO- • 6H2O) + H2O = (HO- • 7H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.9 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
+
= (
•
)
By formula: HO- + D2O = (HO- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 26.8 | kcal/mol | PHPMS | Meot-ner and Sieck, 1986 | gas phase; OD-, D2O; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.2 | cal/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; OD-, D2O; M |
+
= (
•
)
By formula: HO- + H2 = (HO- • H2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7. | kcal/mol | CID | Paulson and Henchman, 1984 | gas phase; approximate value; M |
+
= (
•
)
By formula: HO- + CO2 = (HO- • CO2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 88. | kcal/mol | CID | Hierl and Paulson, 1984 | gas phase; M |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through May, 1977
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| a (3Π) | (28000) 1 | |||||||||||
| ↳Merkel and Hamill, 1971 | ||||||||||||
| X 1Σ+ | 0 | (3700) 2 | (18.9) 2 | (0.970) 2 | ||||||||
Notes
| 1 | Absorption (λ < 3500 Å) and long lived emission (λmax ~4000 Å) in aqueous solutions. |
| 2 | Estimates based on the analysis of photodetachment data, Branscomb, 1966, Celotta, Bennett, et al., 1974, Hotop, Patterson, et al., 1974. |
| 3 | From D00(OH) and the electron affinities of OH and O. |
| 4 | From high-resolution photodetachment studies of OH- and OD- Hotop, Patterson, et al., 1974; see also Branscomb, 1966, Kay and Page, 1966, Celotta, Bennett, et al., 1974. |
| 5 | Anagolous to 3. |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
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 (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]
Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P.,
Hydration of OH- and O2- in the Gas Phase. Comparative Solvation of OH- by Water and the Hydrogen Halides. Effect of Acidity,
J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015
. [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]
DePaz, Giardini, et al., 1970
DePaz, M.; Giardini, A.G.; Friedman, L.,
Tandem-Mass-Spectrometer Study of Solvated Derivatives of OD-. Total Hydration Energy of the Proton,
J. Chem. Phys., 1970, 52, 2, 687, https://doi.org/10.1063/1.1673041
. [all data]
Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E.,
Laboratory studies of negative ion reactions with atmospheric trace constituents,
J. Chem. Phys., 1974, 61, 3181. [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]
Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W.,
Relative acidities of water and methanol, and the stabilities of the dimer adducts,
J. Phys. Chem., 1986, 90, 6687. [all data]
Paulson and Henchman, 1984
Paulson, J.F.; Henchman, M.J.,
NATO Advanced Study Institute, Ionic Processes in the Gas Phase, Series C, M. A. Almoster - Ferreira, ed(s)., Reidel, Boston, 1984, 331. [all data]
Merkel and Hamill, 1971
Merkel, P.B.; Hamill, W.H.,
Evidence for a low-lying triplet state of the hydroxide ion,
J. Chem. Phys., 1971, 55, 2174. [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]
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]
Kay and Page, 1966
Kay, J.; Page, F.M.,
Determination of electron affinities. Part 10. Electron affinity of hydroxyl,
Trans. Faraday Soc., 1966, 62, 3081. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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