Water

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Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
MS - José A. Martinho Simões

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.

Reactions 1 to 50

Chlorine anion + Water = (Chlorine anion • Water)

By formula: Cl- + H2O = (Cl- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°60. ± 20.kJ/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°81. ± 10.J/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°40. ± 20.kJ/molAVGN/AAverage of 9 values; Individual data points

(Hydronium cation • 2Water) + Water = (Hydronium cation • 3Water)

By formula: (H3O+ • 2H2O) + H2O = (H3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°73. ± 4.kJ/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°118. ± 8.J/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°39.kJ/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.300.HPMSArifov, Pozharov, et al., 1971gas phase; M
38.296.SAMSPuckett and Teague, 1971gas phase; M
35.300.PHPMSGood, Durden, et al., 1970gas phase; M
35.307.PHPMSGood, Durden, et al., 1970, 2gas phase; M

CH2OH+ + Water = (CH2OH+ • Water)

By formula: CH3O+ + H2O = (CH3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°119.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
ΔrH°117.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977; M
ΔrH°119.kJ/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrH°120.kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrH°120.kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrS°113.J/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrS°113.J/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrS°112.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrG°85.4kJ/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrG°85.8kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Hydronium cation + Water = (Hydronium cation • Water)

By formula: H3O+ + H2O = (H3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°136. ± 9.kJ/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°120. ± 30.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
34.300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • Water) + Water = (Hydronium cation • 2Water)

By formula: (H3O+ • H2O) + H2O = (H3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°84. ± 5.kJ/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°94. ± 20.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
36.300.HPMSArifov, Pozharov, et al., 1971gas phase; M

(Hydronium cation • 3Water) + Water = (Hydronium cation • 4Water)

By formula: (H3O+ • 3H2O) + H2O = (H3O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°56. ± 20.kJ/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°100. ± 20.J/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°23.kJ/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
24.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
23.296.SAMSPuckett and Teague, 1971gas phase; M
21.300.PHPMSGood, Durden, et al., 1970gas phase; M
21.307.PHPMSGood, Durden, et al., 1970, 2gas phase; M
29.300.HPMSArifov, Pozharov, et al., 1971gas phase; M

NO3 anion + Water = (NO3 anion • Water)

By formula: NO3- + H2O = (NO3- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°61.09 ± 0.84kJ/molN/ALee, Keesee, et al., 1980gas phase; B,M
ΔrH°59.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°51.88kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
ΔrH°61.9kJ/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
ΔrH°80.3kJ/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
ΔrS°105.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
ΔrS°100.J/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
ΔrS°89.1J/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
ΔrS°79.9J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°30.1 ± 1.3kJ/molTDAsLee, Keesee, et al., 1980gas phase; B
ΔrG°29.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
ΔrG°30.5 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B
ΔrG°28.0kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
37.250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
28.296.FAFehsenfeld and Ferguson, 1974gas phase; M
29.300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

Nitrogen oxide anion + Water = (Nitrogen oxide anion • Water)

By formula: NO2- + H2O = (NO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°65. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°84.9J/mol*KPHPMSSieck, 1985gas phase; M
ΔrS°83.7J/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
ΔrS°99.6J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
ΔrS°88.J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°35.6 ± 0.84kJ/molTDAsSieck, 1985gas phase; B
ΔrG°35.6 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
ΔrG°34. ± 24.kJ/molEndoPaulson and Dale, 1982gas phase; B
ΔrG°33.9 ± 0.84kJ/molTDAsLee, Keesee, et al., 1980gas phase; B
ΔrG°33.5kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
33.296.FAFehsenfeld and Ferguson, 1974gas phase; M
35.300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

(Sodium ion (1+) • 3Water) + Water = (Sodium ion (1+) • 4Water)

By formula: (Na+ • 3H2O) + H2O = (Na+ • 4H2O)

Quantity Value Units Method Reference Comment
ΔrH°55. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°99. ± 10.J/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
54.8 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
27.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Chlorine anion • 2Water) + Water = (Chlorine anion • 3Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°48. ± 7.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°93.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°93.7J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
ΔrS°97.1J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°21. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Iodide + Water = (Iodide • Water)

By formula: I- + H2O = (I- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°43. ± 3.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°64.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°80.8J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
ΔrS°68.2J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°23. ± 1.kJ/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Iodide • Water) + Water = (Iodide • 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°41.4 ± 0.84kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
ΔrH°39.7kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°39.7 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°41. ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°41. ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°73.6J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°84.9J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
ΔrS°79.5J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°17. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
17.300.HPMSBanic and Iribarne, 1985gas phase; electric fields; M

(Chlorine anion • Water) + Water = (Chlorine anion • 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°53. ± 5.kJ/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°89.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°85.8J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
ΔrS°87.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°28. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°27.2kJ/molTDAsKeesee and Castleman, 1980gas phase; B
ΔrG°27. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°27.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°28.kJ/molFAFehsenfeld and Ferguson, 1974gas phase; M

(CH2OH+ • Water) + Water = (CH2OH+ • 2Water)

By formula: (CH3O+ • H2O) + H2O = (CH3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°90.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
ΔrH°83.3kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrH°82.8kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrS°113.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
ΔrS°110.J/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrS°110.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrG°50.6kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(CH2OH+ • 2Water) + Water = (CH2OH+ • 3Water)

By formula: (CH3O+ • 2H2O) + H2O = (CH3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°73.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
ΔrH°70.7kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrH°71.1kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrS°107.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
ΔrS°109.J/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
ΔrS°109.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrG°38.kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

(Hydronium cation • 4Water) + Water = (Hydronium cation • 5Water)

By formula: (H3O+ • 4H2O) + H2O = (H3O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°50. ± 8.kJ/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°102. ± 20.J/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M

(Sodium ion (1+) • Water) + Water = (Sodium ion (1+) • 2Water)

By formula: (Na+ • H2O) + H2O = (Na+ • 2H2O)

Quantity Value Units Method Reference Comment
ΔrH°79. ± 8.kJ/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°92.9J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
ΔrS°96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
82.0 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
41.8300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Sodium ion (1+) • 2Water) + Water = (Sodium ion (1+) • 3Water)

By formula: (Na+ • 2H2O) + H2O = (Na+ • 3H2O)

Quantity Value Units Method Reference Comment
ΔrH°62.3kJ/molHPMSTang, Lian, et al., 1976gas phase; M
ΔrH°66.1kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
ΔrH°69.9 ± 5.9kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°67.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
ΔrH°70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°87.0J/mol*KHPMSTang, Lian, et al., 1976gas phase; M
ΔrS°91.6J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
ΔrS°92.0J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
ΔrS°96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°40.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
70.3 (+5.9,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
39.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

(Chlorine anion • 3Water) + Water = (Chlorine anion • 4Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°44.4 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrH°40.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°44. ± 1.kJ/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrH°45.6 ± 2.9kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
ΔrH°46.4 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°95.0J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°104.J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
ΔrS°108.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°16. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; B
ΔrG°14.6kJ/molTDAsKeesee and Castleman, 1980gas phase; B
ΔrG°14.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°17. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Nitrogen oxide anion • Water) + Water = (Nitrogen oxide anion • 2Water)

By formula: (NO2- • H2O) + H2O = (NO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°54.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°54.0 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
ΔrH°54.0 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrH°56.9kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
ΔrS°99.2J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°25.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
ΔrG°24. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°24.3kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°26. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
25.296.FAFehsenfeld and Ferguson, 1974gas phase; M
24.300.SAMSPayzant, Cunningham, et al., 1972gas phase; M

(NH4+ • Water) + Water = (NH4+ • 2Water)

By formula: (H4N+ • H2O) + H2O = (H4N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°72.8kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
ΔrH°57.3kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 51.9 kJ/mol from plot is too small; M
ΔrH°61.5kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°120.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
ΔrS°92.0J/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 51.9 kJ/mol from plot is too small; M
ΔrS°91.6J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°37.kJ/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
19.414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 51.9 kJ/mol from plot is too small; M

C16H34OP2Ru (solution) + Diphenylamine (solution) = C28H43NP2Ru (solution) + Water (solution)

By formula: C16H34OP2Ru (solution) + C12H11N (solution) = C28H43NP2Ru (solution) + H2O (solution)

Quantity Value Units Method Reference Comment
ΔrH°5.0 ± 0.4kJ/molEqSBryndza, Fong, et al., 1987solvent: Tetrahydrofuran; In a series of reactions involving similar ruthenium complexes, the reaction enthalpy was identified with the reaction Gibbs energy, since the entropy values are expected to be small Bryndza, Fong, et al., 1987. For this reaction, however a van't Hoff plot could be used. Temperature range: 293-328 K; MS
ΔrH°19.7kJ/molEqSBryndza, Fong, et al., 1987solvent: Benzene; The reaction enthalpy was identified with the reaction Gibbs energy, since the the entropy is expected to be small Bryndza, Fong, et al., 1987; MS

MeCO2 anion + Water = (MeCO2 anion • Water)

By formula: C2H3O2- + H2O = (C2H3O2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°68.6 ± 3.3kJ/molTDAsWincel, 2008gas phase; B
ΔrH°66.5 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
ΔrH°66.9 ± 4.2kJ/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
ΔrH°68.6 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°66.1kJ/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°84.9J/mol*KPHPMSMeot-ner, 1988gas phase; M
ΔrS°94.1J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
ΔrG°38. ± 5.9kJ/molN/AWincel, 2008gas phase; B
ΔrG°39.8kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
ΔrG°39. ± 6.7kJ/molTDAsMeot-Ner and Sieck, 1986gas phase; B
ΔrG°39.3 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(Iodide • 2Water) + Water = (Iodide • 3Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°38.9 ± 1.3kJ/molTDAsKeesee and Castleman, 1980gas phase; B,M
ΔrH°36. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°38.5 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°39. ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°39. ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°85.4J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°87.9J/mol*KHPMSKeesee and Castleman, 1980gas phase; M
ΔrS°89.1J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°12.6kJ/molTDAsKeesee and Castleman, 1980gas phase; B
ΔrG°13.0 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°14. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

C2H5NaO (cr) + 0.5(Sulfuric Acid • 1100Water) (solution) = Ethanol (solution) + 0.5sodium sulphate (solution)

By formula: C2H5NaO (cr) + 0.5(H2O4S • 1100H2O) (solution) = C2H6O (solution) + 0.5Na2O4S (solution)

Quantity Value Units Method Reference Comment
ΔrH°-118.4 ± 3.8kJ/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -10.6 kJ/mol for the enthalpy of solution of EtOH(l) and on 9.97±0.04 for the enthalpy of solution of Na2SO4(cr) Blanchard, Joly, et al., 1974. A value of -490.8 ± 5.9 kJ/mol was derived in Blanchard, Joly, et al., 1974 for the enthalpy of formation. However, this value is affected by a calculation error. Also, the authors have not accounted for the acid dilution (this correction could not be made in the present database, due to lack of information). These problems were also noted in the data compilations Tel'noi and Rabinovich, 1980 and Wagman, Evans W.H., et al., 1982, where the values quoted for the enthalpy of formation, which rely on the experimental data reported in Blanchard, Joly, et al., 1974, are -410.0 ± 4.2 kJ/mol and -413.8 kJ/mol, respectively. See also comments in Liebman, Martinho Simões, et al., 1995; MS

Potassium ion (1+) + Water = (Potassium ion (1+) • Water)

By formula: K+ + H2O = (K+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°70.7kJ/molHPMSDavidson and Kebarle, 1976gas phase; M
ΔrH°70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
ΔrH°81. ± 10.kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
ΔrH°74.9kJ/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°83.3J/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
ΔrS°96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
ΔrS°89.1J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
ΔrS°90.4J/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
38.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
2.840.MSChupka, 1959gas phase; Knudsen cell, 840+-50K; M

(Bromine anion • Water) + Water = (Bromine anion • 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°48.5 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°51.04kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°51.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°51.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°75.3J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°95.8J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°26. ± 4.2kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°23. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°22.6kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°24. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

CN- + Water = (CN- • Water)

By formula: CN- + H2O = (CN- • H2O)

Quantity Value Units Method Reference Comment
ΔrH°53.1 ± 3.3kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
ΔrH°61.1 ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
ΔrH°57.74kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
ΔrH°61.1kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
ΔrS°82.0J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
ΔrS°75.J/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
ΔrS°82.0J/mol*KPHPMSMeot-ner, 1988gas phase; M
ΔrS°82.0J/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
ΔrS°82.8J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°30.5 ± 0.84kJ/molTDAsLarson, Szulejko, et al., 1988gas phase; B
ΔrG°36. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B
ΔrG°36. ± 4.2kJ/molTDAsMeot-ner, 1988, 2gas phase; B
ΔrG°33.1kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(Bromine anion • 2Water) + Water = (Bromine anion • 3Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°47.7 ± 1.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°48.1 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°48.1 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°94.1J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°104.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°20. ± 4.6kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°18. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

(Nitrogen oxide anion • 2Water) + Water = (Nitrogen oxide anion • 3Water)

By formula: (NO2- • 2H2O) + H2O = (NO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°48.1 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°43.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
ΔrH°43.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrH°49.0kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°108.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
ΔrS°88.7J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°18.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
ΔrG°17. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°17.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°19. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Bromine anion + Water = (Bromine anion • Water)

By formula: Br- + H2O = (Br- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°53.14kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°49.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°52.72kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
ΔrH°53.1kJ/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°61.5J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°77.0J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
ΔrS°82.8J/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
ΔrG°30.5 ± 3.3kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°29. ± 12.kJ/molTDAsBurdett and Hayhurst, 1982gas phase; B
ΔrG°29. ± 8.4kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

CH2N+ + Water = (CH2N+ • Water)

By formula: CH2N+ + H2O = (CH2N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°115.kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
ΔrH°124.kJ/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M
Quantity Value Units Method Reference Comment
ΔrS°101.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
ΔrS°120.J/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
87.9300.ICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992; M

Hydroxyl anion + Water = (Hydroxyl anion • Water)

By formula: HO- + H2O = (HO- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°113. ± 4.kJ/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrS°118.J/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
ΔrS°91.2J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
ΔrS°87.0J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
ΔrS°79.9J/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

HO- + Water = (HO- • Water)

By formula: HO- + H2O = (HO- • H2O)

Quantity Value Units Method Reference Comment
ΔrH°120. ± 30.kJ/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
ΔrG°80.3 ± 4.2kJ/molTDAsPaul and Kebarle, 1990gas phase; B
ΔrG°84.1 ± 6.7kJ/molTDEqMeot-Ner and Sieck, 1986gas phase; B
ΔrG°83.7 ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
ΔrG°77.82kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

(Fluorine anion • Water) + Water = (Fluorine anion • 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°80.3 ± 2.1kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
ΔrH°69.5 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°69.5 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°92.9J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°78.2J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°52.3 ± 6.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
ΔrG°46.0 ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°46.02kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(MeCO2 anion • 2Water) + Water = (MeCO2 anion • 3Water)

By formula: (C2H3O2- • 2H2O) + H2O = (C2H3O2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°49.4 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
ΔrH°51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°49.4kJ/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°24.4kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
ΔrG°21.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
ΔrG°25.kJ/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M

(Bromine anion • 3Water) + Water = (Bromine anion • 4Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°46.02 ± 0.84kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°26. ± 9.6kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°45.6 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°110.J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°112.J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°13.0 ± 2.9kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°12.1kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
ΔrG°14. ± 8.4kJ/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

O3P- + Water = (O3P- • Water)

By formula: O3P- + H2O = (O3P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°54.0 ± 1.3kJ/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B,M,M
ΔrH°52.7kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°87.0J/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
ΔrS°92.9J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
ΔrS°87.0J/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrG°26. ± 5.0kJ/molTDAsKeesee and Castleman Jr., 1989gas phase; Not (HO)2PO2-. See also Blades, Ho, et al., 1996 : (HO)2PO2- -> PO3- + HOH, Eact ca. 55 kcal/mol.; B
ΔrG°27.kJ/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M

Sodium ion (1+) + Water = (Sodium ion (1+) • Water)

By formula: Na+ + H2O = (Na+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°100.kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
ΔrH°87.9 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°82.0 ± 5.9kJ/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
ΔrH°95.0 ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
ΔrH°111.kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
ΔrS°90.0J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
ΔrS°92.J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
94.6 (+7.5,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
65.7298.IMREMcMahon and Ohanessian, 2000Anchor alanine=39.89; RCD

(Potassium ion (1+) • 2Water) + Water = (Potassium ion (1+) • 3Water)

By formula: (K+ • 2H2O) + H2O = (K+ • 3H2O)

Quantity Value Units Method Reference Comment
ΔrH°54.4kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
ΔrH°60. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
ΔrH°55.2kJ/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°94.1J/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
ΔrS°96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
ΔrS°96.2J/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°26.kJ/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
28.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(MeCO2 anion • Water) + Water = (MeCO2 anion • 2Water)

By formula: (C2H3O2- • H2O) + H2O = (C2H3O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°54.0 ± 4.2kJ/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
ΔrH°57.7 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°53.6kJ/molPHPMSMeot-ner, 1988gas phase; M
ΔrH°54.0kJ/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°79.9J/mol*KPHPMSMeot-ner, 1988gas phase; M
ΔrS°85.8J/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°29.3kJ/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
ΔrG°28.5 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(Chlorine anion • 6Water) + Water = (Chlorine anion • 7Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°34. ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
ΔrH°28.9kJ/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
ΔrH°34.kJ/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrG°8.8 ± 4.2kJ/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B

Rubidium ion (1+) + Water = (Rubidium ion (1+) • Water)

By formula: Rb+ + H2O = (Rb+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°66.5kJ/molHPMSDzidic and Kebarle, 1970gas phase; M
ΔrH°70. ± 10.kJ/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
ΔrH°66.9kJ/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
ΔrS°88.7J/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
ΔrS°96.J/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
ΔrS°84.1J/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
39.300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M

(NO3 anion • Water) + Water = (NO3 anion • 2Water)

By formula: (NO3- • H2O) + H2O = (NO3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°51.0 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
ΔrH°59.8kJ/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°127.J/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°21.8 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
ΔrG°21.8 ± 0.42kJ/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
22.301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
21.296.FAFehsenfeld and Ferguson, 1974gas phase; M

C4H6N+ + Water = (C4H6N+ • Water)

By formula: C4H6N+ + H2O = (C4H6N+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°58.6kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
ΔrH°57.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
ΔrH°67.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
ΔrS°97.5J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
ΔrS°92.0J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
ΔrS°130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
21.344.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

C2H2F3O2+ + Water = (C2H2F3O2+ • Water)

By formula: C2H2F3O2+ + H2O = (C2H2F3O2+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°118.kJ/molICRLarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrS°97.5J/mol*KN/ALarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
89.5309.ICRLarson and McMahon, 1982gas phase; From thermochemical cycle(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C4H5O+ + Water = (C4H5O+ • Water)

By formula: C4H5O+ + H2O = (C4H5O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°43.5kJ/molPHPMSNicol, Sunner, et al., 1988gas phase; M
ΔrH°42.7kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
ΔrH°67.kJ/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
ΔrS°84.J/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
ΔrS°82.4J/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
ΔrS°130.J/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.382.PHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

(Fluorine anion • 2Water) + Water = (Fluorine anion • 3Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°64.0 ± 1.7kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
ΔrH°57.3 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrH°57.3 ± 4.2kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
ΔrS°95.8J/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
ΔrS°85.4J/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
ΔrG°35. ± 5.4kJ/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
ΔrG°32. ± 5.9kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
ΔrG°31.8kJ/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B

(Hydroxyl anion • Water) + Water = (Hydroxyl anion • 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°73.6kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
ΔrH°75.kJ/molCIDHierl and Paulson, 1984gas phase; M
ΔrH°74.9kJ/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
ΔrH°68.6kJ/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
ΔrH°96.kJ/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
ΔrS°89.5J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
ΔrS°88.7J/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
ΔrS°80.8J/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

C2H4F3O+ + Water = (C2H4F3O+ • Water)

By formula: C2H4F3O+ + H2O = (C2H4F3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
ΔrH°128.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity Value Units Method Reference Comment
ΔrS°99.6J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
97.9309.ICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Gas Chromatography, 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
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 H2O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.621 ± 0.002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)691.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity660.0kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12.65 ± 0.05EISnow and Thomas, 1990LL
12.6188 ± 0.0009PIPage, Larkin, et al., 1988LL
12.6223 ± 0.0003PEReutt, Wang, et al., 1986LBLHLM
12.6 ± 0.1EIGrade, Wienecke, et al., 1983LBLHLM
12.63 ± 0.03EILefaivre and Marmet, 1978LLK
12.612SGurtler, Saile, et al., 1977LLK
12.627PEBotter and Carlier, 1977LLK
12.616PEKronebusch and Berkowitz, 1976LLK
12.624PEDixon, Duxbury, et al., 1976LLK
12.615 ± 0.001PEKarlsson, Mattson, et al., 1975LLK
12.6PEDebies and Rabalais, 1975LLK
12.6PIRabalais, Debies, et al., 1974LLK
12.615 ± 0.001PEBergmark, Karlsson, et al., 1974LLK
12.619PERobin and Kuebler, 1973LLK
12.7EIMorrison and Traeger, 1973LLK
12.619 ± 0.006SKatayama, Huffman, et al., 1973LLK
12.62PEPotts and Price, 1972LLK
12.624PEAsbrink and Rabalais, 1971LLK
12.65CICermak, 1968RDSH
12.62 ± 0.01PEBrundle and Turner, 1968RDSH
12.59 ± 0.01PIDibeler, Walker, et al., 1966RDSH
12.614 ± 0.005PIBrehm, 1966RDSH
12.597 ± 0.010PINicholson, 1965RDSH
12.60 ± 0.01EIFrost and McDowell, 1958RDSH
12.62 ± 0.02SPrice, 1936RDSH
12.62PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.8PECampbell, Liesegang, et al., 1979Vertical value; LLK
12.61PEBenoit and Harrison, 1977Vertical value; LLK
12.61PEWieczorek, Koenig, et al., 1975Vertical value; LLK
12.60 ± 0.02PEBanna and Shirley, 1975Vertical value; LLK
12.62PESchweig and Thiel, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
H+16.95 ± 0.05OHEILefaivre and Marmet, 1978LLK
H+18.7 ± 0.05OH(X2P)EIAppell and Durup, 1973LLK
H+16.0 ± 0.3OH-EICottin, 1959RDSH
H+19.6 ± 0.25OHEICottin, 1959RDSH
HO+18.08 ± 0.05HEILefaivre and Marmet, 1978LLK
HO+18.115 ± 0.008HPIMcCulloh, 1976LLK
HO+18.2HEIMorrison and Traeger, 1973LLK
HO+18.05HPIDibeler, Walker, et al., 1966RDSH
HO+18.2 ± 0.1HEIFoner and Hudson, 1956RDSH
H2+20.7 ± 0.4OEIEhrhardt and Kresling, 1967RDSH
O+19.0H2EIMorrison and Traeger, 1973LLK
O+26.82HEIMorrison and Traeger, 1973LLK
O+19.0 ± 0.2H2EIEhrhardt and Kresling, 1967RDSH
O+26.5 ± 0.32H?EIEhrhardt and Kresling, 1967RDSH
O+29.15 ± 0.252H?EICottin, 1959RDSH

De-protonation reactions

HO- + Hydrogen cation = Water

By formula: HO- + H+ = H2O

Quantity Value Units Method Reference Comment
ΔrH°1633.141 ± 0.042kJ/molD-EASmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
ΔrH°1622.1kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7; B
Quantity Value Units Method Reference Comment
ΔrG°1605.57 ± 0.25kJ/molH-TSSmith, Kim, et al., 1997gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B
ΔrG°1594.5kJ/molN/ACheck, Faust, et al., 2001gas phase; MnBr3-; ; ΔS(EA)=1.7; B

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, 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: Takehiko Shimanouchi

Symmetry:   C2ν     Symmetry Number σ = 2
 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase
a1 1 Sym str 3657  A 3656.65 gas 3654 gas
a1 2 Bend 1595  A 1594.59 gas
b1 3 Anti str 3756  A 3755.79 gas

Source: Shimanouchi, 1972

Notes

A0~1 cm-1 uncertainty

Gas Chromatography

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L130.317.Landault and Guiochon, 1964Teflon-Haloport; Column length: 2.26 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101319.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone327.Zenkevich, Korolenko, et al., 1995Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPolyethylene Glycol1039.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-Wax1066.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bierbaum, Golde, et al., 1976
Bierbaum, V.M.; Golde, M.F.; Kaufman, F., Flowing Afterglow Studies of Hydronium Ion Clustering Including Diffusion Effects, J. Chem. Phys., 1976, 65, 7, 2715, https://doi.org/10.1063/1.433415 . [all data]

Arifov, Pozharov, et al., 1971
Arifov, U.A.; Pozharov, S.L.; Chernov, I.G., High Energy Chem., 1971, 5, 1. [all data]

Puckett and Teague, 1971
Puckett, L.J.; Teague, A.W., Production of H3O+.nH2O from NO+ Precursor in NO - H2O Gas Mixtures, J. Chem. Phys., 1971, 54, 6, 2564, https://doi.org/10.1063/1.1675213 . [all data]

Good, Durden, et al., 1970
Good, A.; Durden, D.A.; Kebarle, P., Ion-Molecule Reactions in Pure Nitrogen and Nitrogen Containing Traces of Water at Total Pressures 0.5 - 4 torr. Kinetics of Clustering Reactions Forming H+(H2O)n, J. Chem. Phys., 1970, 52, 1, 212, https://doi.org/10.1063/1.1672667 . [all data]

Good, Durden, et al., 1970, 2
Good, A.; Durden, D.A.; Kebarle, P., Mechanism and Rate Constants of Ion-Molecule Reactions Leading to Formation of H+(H2O)n in Moist Oxygen and Air, J. Chem. Phys., 1970, 52, 1, 222, https://doi.org/10.1063/1.1672668 . [all data]

Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [all data]

Davidson, Sunner J., et al., 1979
Davidson, W.R.; Sunner J.; Kebarle, P., Hydrogen Bonding of Water to Onium Ions. Hydration of Substituted Pyridinium Ions and Related Systems, J. Am. Chem. Soc., 1979, 101, 7, 1675, https://doi.org/10.1021/ja00501a005 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Yamdagni and Kebarle, 1976
Yamdagni, R.; Kebarle, P., Gas Phase Basicities and Proton Affinities of Compounds Between Water Ammonia and Substituted Benzenes from a Continuous Ladder of Proton Transfer Equilibrium Measurements, J. Am. Chem. Soc., 1976, 98, 6, 1320, https://doi.org/10.1021/ja00422a005 . [all data]

Wolf, Staley, et al., 1977
Wolf, J.F.; Staley, R.H.; Koppel, I.; Taagepera, M.; McIver, R.T.; Beauchamp, J.L.; Taft, R.W., Gas Phase Basicities and Relative Proton Affinities of Compounds Between Water and Ammonia from Pulsed Ion Cyclotron Resonance Thermal Equilibria Measurements, J. Am. Chem. Soc., 1977, 99, 16, 5417, https://doi.org/10.1021/ja00458a032 . [all data]

Berman and Beauchamp, 1980
Berman, D.W.; Beauchamp, J.L., A Novel Bimolecular Reaction Sequence Yielding H(OH2)2+ at Low Pressures. Ion Cyclotron Resonance Studies of the Reaction of Doubly Solvated Protons, J. Phys. Chem., 1980, 84, 18, 2233, https://doi.org/10.1021/j100455a004 . [all data]

Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E., Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol, J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333 . [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Bohme, Mackay, et al., 1979
Bohme, D.K.; Mackay, G.I.; Tanner, S.D., An Experimental Study of the Gas - Phase Kinetics of Reactions with Hydrated H3O+ Ions (n=1 - 3) at 298 K, J. Am. Chem. Soc., 1979, 101, 14, 3724, https://doi.org/10.1021/ja00508a003 . [all data]

Klassen, Blades, et al., 1995
Klassen, J.S.; Blades, A.T.; Kebarle, P., Determinations of Ion-Molecule Equilibria Involving Ions Produced by Electrospray. Hydration of Protonated Amines, Diamines, and Some Small Peptides, J. Phys. Chem., 1995, 99, 42, 15509, https://doi.org/10.1021/j100042a027 . [all data]

Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr., The properties of clusters in the gas phase. IV. Complexes of H2O and HNOx clustering on NOx-, J. Chem. Phys., 1980, 72, 1089. [all data]

Blades, Klassen, et al., 1995
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Notes

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