Water

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Reaction thermochemistry data

Go To: Top, 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
Δr15. ± 5.kcal/molAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19. ± 3.cal/mol*KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr9. ± 4.kcal/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
Δr17.3 ± 0.9kcal/molAVGN/AAverage of 9 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 2.cal/mol*KAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr9.4kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.1300.HPMSArifov, Pozharov, et al., 1971gas phase; M
9.2296.SAMSPuckett and Teague, 1971gas phase; M
8.4300.PHPMSGood, Durden, et al., 1970gas phase; M
8.3307.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
Δr28.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984; M
Δr27.9kcal/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
Δr28.5kcal/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
Δr28.6kcal/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
Δr28.7kcal/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
Δr26.9cal/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
Δr26.9cal/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
Δr26.8cal/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
Δr20.4kcal/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
Δr20.5kcal/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
Δr32. ± 2.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28. ± 7.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1300.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
Δr20. ± 1.kcal/molAVGN/AAverage of 7 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22. ± 4.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.6300.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
Δr13. ± 4.kcal/molAVGN/AAverage of 6 out of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 5.cal/mol*KAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr5.5kcal/molFABierbaum, Golde, et al., 1976gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.8293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
5.4296.SAMSPuckett and Teague, 1971gas phase; M
5.0300.PHPMSGood, Durden, et al., 1970gas phase; M
5.0307.PHPMSGood, Durden, et al., 1970, 2gas phase; M
7.0300.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
Δr14.60 ± 0.20kcal/molN/ALee, Keesee, et al., 1980gas phase; B,M
Δr14.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.40kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr14.8kcal/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr19.2kcal/molFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Quantity Value Units Method Reference Comment
Δr25.0cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr25.cal/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
Δr21.3cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M
Δr19.1cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr7.20 ± 0.30kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr7.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr7.30 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B
Δr6.70kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.8250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated; M
6.8296.FAFehsenfeld and Ferguson, 1974gas phase; M
7.0300.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
Δr16. ± 4.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSSieck, 1985gas phase; M
Δr20.0cal/mol*KFABohringer, Fahey, et al., 1984gas phase; switching reaction(NO2-)H2O; Lee, Keesee, et al., 1980; M
Δr23.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr21.cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr8.50 ± 0.20kcal/molTDAsSieck, 1985gas phase; B
Δr8.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr8.1 ± 5.8kcal/molEndoPaulson and Dale, 1982gas phase; B
Δr8.10 ± 0.20kcal/molTDAsLee, Keesee, et al., 1980gas phase; B
Δr8.00kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0296.FAFehsenfeld and Ferguson, 1974gas phase; M
8.4300.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
Δr13.1 ± 0.9kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 3.cal/mol*KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr6.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
13.1 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6293.ES/HPMSKlassen, Blades, et al., 1995gas phase; M
6.4300.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
Δr12. ± 2.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.4cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr23.2cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.0 ± 0.5kcal/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
Δr10.4 ± 0.7kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr19.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr16.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr5.5 ± 0.3kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.3300.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
Δr9.90 ± 0.20kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr9.50kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.50 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.8 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr9.8 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr17.6cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.3cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr19.0cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.0 ± 0.5kcal/molAVGN/AAverage of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1300.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
Δr13. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.5cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr20.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr6.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr6.5 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr6.50kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.7kcal/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
Δr21.5kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr19.9kcal/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
Δr19.8kcal/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
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.2cal/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
Δr26.3cal/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
Δr12.1kcal/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
Δr17.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr16.9kcal/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
Δr17.0kcal/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
Δr25.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr26.0cal/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
Δr26.0cal/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
Δr9.1kcal/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
Δr12. ± 2.kcal/molAVGN/AAverage of 5 out of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr24. ± 4.cal/mol*KAVGN/AAverage of 4 out of 6 values; Individual data points

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.5293.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
Δr19. ± 2.kcal/molAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
19.6 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
10.0300.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
Δr14.9kcal/molHPMSTang, Lian, et al., 1976gas phase; M
Δr15.8kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr16.7 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr16.1kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KHPMSTang, Lian, et al., 1976gas phase; M
Δr21.9cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr22.0cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electrospray, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr9.5kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
16.8 (+1.4,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4300.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
Δr10.6 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr9.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.6 ± 0.3kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr10.90 ± 0.70kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr11.1 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr25.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.8 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; B
Δr3.50kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr3.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.0 ± 2.0kcal/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
Δr13.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.9 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr12.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr13.6kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr26.4cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr23.7cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr6.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.8 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.80kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr6.1 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.9296.FAFehsenfeld and Ferguson, 1974gas phase; M
5.8300.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
Δr17.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr13.7kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M
Δr14.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr28.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; ΔrH?, Entropy change is questionable, appear out of line; M
Δr22.0cal/mol*KN/AMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/mol from plot is too small; M
Δr21.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8kcal/molHPMSBanic and Iribarne, 1985gas phase; electric fields; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.6414.PHPMSMeot-Ner (Mautner), 1984gas phase; Entropy change calculated or estimated; ΔrH of 12.4 kcal/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
Δr1.2 ± 0.1kcal/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
Δr4.71kcal/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
Δr16.40 ± 0.80kcal/molTDAsWincel, 2008gas phase; B
Δr15.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.0 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Δr16.4 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr15.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.3cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr22.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; ion given as C2H3COO- in paper by error; M
Quantity Value Units Method Reference Comment
Δr9.0 ± 1.4kcal/molN/AWincel, 2008gas phase; B
Δr9.52kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr9.3 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr9.40 ± 0.30kcal/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
Δr9.30 ± 0.30kcal/molTDAsKeesee and Castleman, 1980gas phase; B,M
Δr8.5 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr9.20 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr9.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr9.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr21.0cal/mol*KHPMSKeesee and Castleman, 1980gas phase; M
Δr21.3cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.00kcal/molTDAsKeesee and Castleman, 1980gas phase; B
Δr3.10 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr3.3 ± 2.0kcal/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
Δr-28.30 ± 0.91kcal/molRSCBlanchard, Joly, et al., 1974solvent: Sulphuric acid aqueous solution; The reaction enthalpy relies on -2.53 kcal/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 -117.3 ± 1.4 kcal/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 -98.0 ± 1.0 kcal/mol and -98.90 kcal/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
Δr16.9kcal/molHPMSDavidson and Kebarle, 1976gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr19.4 ± 2.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr17.9kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr19.9cal/mol*KHPMSDavidson and Kebarle, 1976gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr21.3cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Δr21.6cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.0300.HPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
0.4840.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
Δr11.60 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.20kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr12.3 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr12.3 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr18.0cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr22.9cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr6.2 ± 1.0kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr5.4 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr5.40kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr5.7 ± 2.0kcal/molTDAsKebarle, Arshadi, et al., 1968gas phase; B,M

CN- + Water = (CN- • Water)

By formula: CN- + H2O = (CN- • H2O)

Quantity Value Units Method Reference Comment
Δr12.70 ± 0.80kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B,M
Δr14.6 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B,B,M,M
Δr13.80kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr14.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr19.6cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr18.cal/mol*KPHPMSLarson, Szulejko, et al., 1988gas phase; M
Δr19.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr19.6cal/mol*KPHPMSMeot-ner, 1988, 2gas phase; M
Δr19.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.20kcal/molTDAsLarson, Szulejko, et al., 1988gas phase; B
Δr8.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B
Δr8.7 ± 1.0kcal/molTDAsMeot-ner, 1988, 2gas phase; B
Δr7.90kcal/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
Δr11.40 ± 0.30kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.5 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.5 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr24.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr4.7 ± 1.1kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr4.1 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.4 ± 2.0kcal/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
Δr11.5 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr10.4 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B,M
Δr10.4 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr11.7kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr25.8cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Δr21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr4.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr4.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr4.10kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr4.5 ± 2.0kcal/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
Δr12.70kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr11.70 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr12.60kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Δr12.7kcal/molHPMSCaldwell, Masucci, et al., 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr14.7cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Δr19.8cal/mol*KMSBurdett and Hayhurst, 1982gas phase; FLAME SOURCE, 1600 K; M
Quantity Value Units Method Reference Comment
Δr7.30 ± 0.80kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.0 ± 2.8kcal/molTDAsBurdett and Hayhurst, 1982gas phase; B
Δr7.0 ± 2.0kcal/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
Δr27.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr29.6kcal/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
Δr24.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Δr28.8cal/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° (kcal/mol) T (K) Method Reference Comment
21.0300.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
Δr27.0 ± 0.9kcal/molAVGN/AAverage of 3 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr28.1cal/mol*KPHPMSPaul and Kebarle, 1990gas phase; M
Δr21.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr20.8cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr19.1cal/mol*KPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M

HO- + Water = (HO- • Water)

By formula: HO- + H2O = (HO- • H2O)

Quantity Value Units Method Reference Comment
Δr28. ± 7.kcal/molAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr19.2 ± 1.0kcal/molTDAsPaul and Kebarle, 1990gas phase; B
Δr20.1 ± 1.6kcal/molTDEqMeot-Ner and Sieck, 1986gas phase; B
Δr20.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B
Δr18.60kcal/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
Δr19.20 ± 0.50kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B,M
Δr16.6 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr16.6 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr18.7cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr12.5 ± 1.6kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; Stated electron affinity is the Vertical Detachment Energy; B
Δr11.0 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr11.00kcal/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
Δr11.8 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr11.8kcal/molPHPMSMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AMeot-ner, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr5.84kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.9kcal/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
Δr11.00 ± 0.20kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr6.2 ± 2.3kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr10.9 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr26.2cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr26.8cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr3.10 ± 0.70kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr2.90kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B
Δr3.3 ± 2.0kcal/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
Δr12.90 ± 0.30kcal/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
Δr12.6kcal/molES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996, 2gas phase; M
Δr22.2cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; M
Δr20.8cal/mol*KHPMSKeesee and Castleman Jr., 1989gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr6.3 ± 1.2kcal/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
Δr6.4kcal/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
Δr24.0kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr21.0 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr19.6 ± 1.4kcal/molCIDCAmicangelo and Armentrout, 2001Anchor NH3=24.41; RCD
Δr22.7 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Δr26.5kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr22.cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, 1600 K; M

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
22.6 (+1.8,-0.) CIDDalleska, Tjelta, et al., 1994gas phase; guided ion beam CID, Na+ (3s0); M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
15.7298.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
Δr13.0kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr14. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr13.2kcal/molHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr22.5cal/mol*KES/HPMSBlades, Klassen, et al., 1996gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr23.0cal/mol*KHPMSSearles and Kebarle, 1969gas phase; M
Quantity Value Units Method Reference Comment
Δr6.3kcal/molES/HPMSBlades, Klassen, et al., 1996gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.6300.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
Δr12.9 ± 1.0kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr12.8kcal/molPHPMSMeot-ner, 1988gas phase; M
Δr12.9kcal/molPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr19.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Δr20.5cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr7.00kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.80 ± 0.30kcal/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
Δr8.1 ± 1.0kcal/molTDAsHiraoka and Mizuse, 1987gas phase; Estimated entropy; single temperature measurement; B
Δr6.90kcal/molN/AMarkovich, Pollack, et al., 1994gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B
Δr8.1kcal/molPHPMSHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Mizuse, et al., 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.0kcal/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
Δr15.9kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Δr16. ± 3.kcal/molHPMSBlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr16.0kcal/molMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M
Quantity Value Units Method Reference Comment
Δr21.2cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M
Δr23.cal/mol*KN/ABlades, Jayaweera, et al., 1990gas phase; electospray, Entropy change calculated or estimated; M
Δr20.1cal/mol*KMSBurdett and Hayhurst, 1982gas phase; flame source, about 1600 K; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.4300.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
Δr12.2 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Δr14.3kcal/molHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr30.3cal/mol*KHPMSLee, Keesee, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr5.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.20 ± 0.10kcal/molTDAsBanic and Iribarne, 1985gas phase; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.2301.HPMSBanic and Iribarne, 1985gas phase; electric fields; M
5.0296.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
Δr14.0kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr13.8kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr23.3cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr22.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.9344.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
Δr28.3kcal/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
Δr23.3cal/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° (kcal/mol) T (K) Method Reference Comment
21.4309.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
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr10.2kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr16.kcal/molPHPMSMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr19.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Δr32.cal/mol*KN/AMeot-Ner (Mautner), Ross, et al., 1985gas phase; Entropy change calculated or estimated, ΔrH<; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.2382.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
Δr15.30 ± 0.40kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B,M
Δr13.7 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr13.7 ± 1.0kcal/molTDAsArshadi, Yamdagni, et al., 1970gas phase; B,M
Quantity Value Units Method Reference Comment
Δr22.9cal/mol*KPHPMSHiraoka, Mizuse, et al., 1988gas phase; M
Δr20.4cal/mol*KHPMSArshadi, Yamdagni, et al., 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr8.4 ± 1.3kcal/molTDAsHiraoka, Mizuse, et al., 1988gas phase; B
Δr7.6 ± 1.4kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr7.60kcal/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
Δr17.6kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr18.kcal/molCIDHierl and Paulson, 1984gas phase; M
Δr17.9kcal/molHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr16.4kcal/molPHPMSArshadi and Kebarle, 1970gas phase; deuterated; M
Δr23.kcal/molCIDDePaz, Giardini, et al., 1970gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr21.4cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Δr21.2cal/mol*KHPMSPayzant, Yamdagni, et al., 1971gas phase; M
Δr19.3cal/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
Δr30.5kcal/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
Δr23.8cal/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° (kcal/mol) T (K) Method Reference Comment
23.4309.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

References

Go To: Top, Reaction thermochemistry data, 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
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [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]

Arnold and Qiu, 1984
Arnold, F.; Qiu, S., Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances, Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X . [all data]

Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E., Bond energies of the molecules H2O, SO2, H2O2, and HCl to various atmospheric negative ions, J. Chem. Phys., 1984, 81, 2805. [all data]

Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V., Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions, J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543 . [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]

Payzant, Cunningham, et al., 1972
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Kinetics and Rate Constants of Reactions Leading to Hydration of NO2- and NO3- in Gaseous Oxygen, Argon, and Helium Containing Traces of Water, Can. J. Chem., 1972, 50, 14, 2230, https://doi.org/10.1139/v72-358 . [all data]

Sieck, 1985
Sieck, L.W., Thermochemistry of Solvation of NO2- and C6H5NO2- by Polar Molecules in the Vapor Phase. Comparison with Cl- and Variation with Ligand Structure., J. Phys. Chem., 1985, 89, 25, 5552, https://doi.org/10.1021/j100271a049 . [all data]

Paulson and Dale, 1982
Paulson, J.F.; Dale, J., Reactions of OH-.H2O with NO2, J. Chem. Phys., 1982, 77, 4006. [all data]

Blades, Klassen, et al., 1996
Blades, A.T.; Klassen, J.S.; Kebarle, P., Determination of Ion-Solvent Equilibria in the Gas Phase. Hydration of Diprotonated Diamines and Bis(trimethylammonium) Alkanes, J. Am. Chem. Soc., 1996, 118, 49, 12437, https://doi.org/10.1021/ja962641t . [all data]

Dalleska, Tjelta, et al., 1994
Dalleska, N.F.; Tjelta, B.L.; Armentrout, P.B., Sequential Bond Energies of Water to Na+ (3s0), Mg+ (3s1), and Al+ (3s2), J. Phys. Chem., 1994, 98, 15, 4191, https://doi.org/10.1021/j100066a045 . [all data]

Blades, Jayaweera, et al., 1990
Blades, A.T.; Jayaweera, P.; Ikonomou, M.G.; Kebarle, P., Studies of Alkaline - Earth and Transition - Metal M++ Gas - Phase Ion Chemistry, J. Chem. Phys., 1990, 92, 10, 5900, https://doi.org/10.1063/1.458360 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Solvation of Halide Ions with H2O and CH3CN in the Gas Phase, J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051 . [all data]

Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr., Gas phase studies of hydration complexes of Cl- and I- and comparison to electrostatic calculations in the gas phase, Chem. Phys. Lett., 1980, 74, 139. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Markovich, Pollack, et al., 1994
Markovich, G.; Pollack, S.; Giniger, R.; Cheshnovsky, O., Photoelectron spectroscopy of Cl-, Br-, and I- solvated in water clusters, J. Chem. Phys., 1994, 101, 11, 9344, https://doi.org/10.1063/1.467965 . [all data]

Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S., Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH, Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Tang, Lian, et al., 1976
Tang, I.N.; Lian, M.S.; Castleman, A.W., Mass Spectrometric Study of Gas - Phase Clustering Reactions: Hydration of the Monovalent Strontium Ion, J. Chem. Phys., 1976, 65, 10, 4022, https://doi.org/10.1063/1.432854 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Kebarle, Arshadi, et al., 1968
Kebarle, P.; Arshadi, M.; Scarborough, J., Hydration of Negative Ions in the Gas Phase, J. Chem. Phys., 1968, 49, 2, 817, https://doi.org/10.1063/1.1670145 . [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, Cunningham, et al., 1973
Payzant, J.D.; Cunningham, A.J.; Kebarle, P., Gas - Phase Solvation of Ammonium Ion by NH3 and H2O and Stabilities of Mixed Clusters NH4+(NH3)n(H2O)w, Can. J. Chem., 1973, 51, 19, 3242, https://doi.org/10.1139/v73-485 . [all data]

Bryndza, Fong, et al., 1987
Bryndza, H.E.; Fong, L.K.; Paciello, R.A.; Tam, W.; Bercaw, J.E., J. Am. Chem. Soc., 1987, 109, 1444. [all data]

Wincel, 2008
Wincel, H., Hydration energies of deprotonated amino acids from gas phase equilibria measurements, J. Am. Soc. Mass Spectrom., 2008, 19, 8, 1091-1097, https://doi.org/10.1016/j.jasms.2008.05.014 . [all data]

Meot-ner, Elmore, et al., 1999
Meot-ner, M.; Elmore, D.E.; Scheiner, S., Ionic Hydrogen Bond Effects on the Acidities, Basicities, Solvation, Solvent Bridging and Self-assembly of Carboxylic Groups, J. Am. Chem. Soc., 1999, 121, 33, 7625, https://doi.org/10.1021/ja982173i . [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, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Blanchard, Joly, et al., 1974
Blanchard, J.M.; Joly, R.D.; Lettoffe, J.M.; Perachon, G.; Thourey, J., J. Chim. Phys. Phys.-Chim. Biol., 1974, 71, 472. [all data]

Tel'noi and Rabinovich, 1980
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1980, 49, 603. [all data]

Wagman, Evans W.H., et al., 1982
Wagman, D.D.; Evans W.H.; Parker, V.B.; Schumm, R.H.; Halow, I.; Bailey, S.M.; Churney, K.L.; Nuttall, R.L., The NBS Tables of Chemical Thermodynamic Properties; J. Phys. Chem. Ref. Data, 1982, 11, Suppl. 2. [all data]

Liebman, Martinho Simões, et al., 1995
Liebman, J.F.; Martinho Simões, J.A.; Slayden, S.W., In Lithium Chemistry: A Theoretical and Experimental Overview Wiley: New York, Sapse, A.-M.; Schleyer, P. von Ragué, ed(s)., 1995. [all data]

Davidson and Kebarle, 1976
Davidson, W.R.; Kebarle, P., Ionic Solvation by Aprotic Solvents. Gas Phase Solvation of the Alkali Ions by Acetonitrile, J. Am. Chem. Soc., 1976, 98, 20, 6125, https://doi.org/10.1021/ja00436a010 . [all data]

Burdett and Hayhurst, 1982
Burdett, N.A.; Hayhurst, A.N., Hydration of gas phase ions and the measurement of boundary layer cooling during flame sampling into a mass spectrometer., J. Chem. Soc. Faraday Trans. 1, 1982, 78, 2997. [all data]

Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P., Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6, Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432 . [all data]

Chupka, 1959
Chupka, W.A., Dissociation Energies of Some Gaseous Halide Complex Ions and the Hydrated Ion K(H2O)+, J. Chem. Phys., 1959, 40, 2, 458, https://doi.org/10.1063/1.1729974 . [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Meot-ner, 1988, 2
Meot-ner, M., The Ionic Hydrogen Bond and Solvation. 7. Interaction Energies of Carbanions with Solvent Molecules, J. Am. Chem. Soc., 1988, 110, 12, 3858, https://doi.org/10.1021/ja00220a022 . [all data]

Meot-Ner (Mautner) and Speller, 1989
Meot-Ner (Mautner), M.; Speller, C.V., Multicomponent Cluster Ions.3. Comparative Stabilities of Cationic and Anionic Hydrogen Bonded Networks. Mixed Clusters of Water and Hydrogen Cyanide, J. Phys. Chem., 1989, 93, 6580. [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [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]

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]

Keesee and Castleman Jr., 1989
Keesee, R.G.; Castleman Jr., Hydration of Monomeric Metaphosphate Anion in the Gas Phase, J. Am. Chem. Soc., 1989, 111, 25, 9015, https://doi.org/10.1021/ja00207a004 . [all data]

Blades, Ho, et al., 1996
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion (HO)2PO2-, and the Conversion of the Orthophosphate anion to the Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Blades, Ho, et al., 1996, 2
Blades, A.T.; Ho, Y.; Kebarle, P., Hydration in the Gas Phase of the Orthophosphate Anion, (HO)2PO2-, and the Conversion of the Orthophosphate to teh Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [all data]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Nicol, Sunner, et al., 1988
Nicol, G.; Sunner, J.; Kebarle, P., Kinetics and Thermodynamics of Protonation Reactions: H3O+(H2O)h + B = BH+(H2O)b + (h - b +1)H2O, where B is a Nitrogen, Oxygen or Carbon Base, Int. J. Mass Spectrom. Ion Proc., 1988, 84, 1-2, 135, https://doi.org/10.1016/0168-1176(88)83032-5 . [all data]

Hiraoka, Takimoto, et al., 1987
Hiraoka, K.; Takimoto, H.; Yamabe, S., Stabilities and Structures in Cluster Ions of Five-Membered Heterocyclic Compounds Containing O, N and S Atoms, J. Am. Chem. Soc., 1987, 109, 24, 7346, https://doi.org/10.1021/ja00258a018 . [all data]

Meot-Ner (Mautner), Ross, et al., 1985
Meot-Ner (Mautner), M.; Ross, M.M.; Campana, J.E., Stable Hydrogen - Bonded Isomers of Covalent Ions, J. Am. Chem. Soc., 1985, 107, 4835. [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [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]


Notes

Go To: Top, Reaction thermochemistry data, References