Water

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Reaction thermochemistry data

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

Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 201 to 250

(HO4S- • Water • 3Sulfuric Acid) + Water = (HO4S- • 2Water • 3Sulfuric Acid)

By formula: (HO4S- • H2O • 3H2O4S) + H2O = (HO4S- • 2H2O • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Hydrogen anion + Water = (Hydrogen anion • Water)

By formula: H- + H2O = (H- • H2O)

Quantity Value Units Method Reference Comment
Δr17.7 ± 2.0kcal/molN/AMiller, Leopold, et al., 1985gas phase; EA given is Vertical Detachment Energy. Est. Adiabatic: 1.40 eV, 32.3 kcal/mol; B
Δr17.3 ± 3.5kcal/molTherPaulson and Henchman, 1984gas phase; HOH..HO- + H2 ->. See also Griffiths and Harris, 1989; B,M
Δr13.80kcal/molCIDTPaulson and Henchman, 1982gas phase; B

(NO3 anion • Nitric acid) + Water = (NO3 anion • Water • Nitric acid)

By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

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

By formula: (NO- • 2H2O) + H2O = (NO- • 3H2O)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molPESEaton, Arnold, et al., 1990gas phase; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
5.4308.PHPMSFrench, Hills, et al., 1973gas phase; M
5.9293.HPMSMcAdams and Bone, 1972gas phase; M
6.0296.FAHoward, Rundle, et al., 1971gas phase; M
6.0296.SAMSPuckett and Teague, 1971gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KHPMSUpschulte, Evans, et al., 1986gas phase; From thermochemical cycle(Cl- 2H2O)H2O, deuterated; Keesee and Castleman, 1980; M

(CH3O- • 2Water) + Water = (CH3O- • 3Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.8kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr24.4cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.9296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(OH-)3H2O; Meot-Ner(Mautner), 1986; M

(Sodium ion (1+) • 3Water) + Carbon dioxide = (Sodium ion (1+) • Carbon dioxide • 3Water)

By formula: (Na+ • 3H2O) + CO2 = (Na+ • CO2 • 3H2O)

Quantity Value Units Method Reference Comment
Δr7.2kcal/molHPMSPeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/APeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr-0.3kcal/molHPMSPeterson, Mark, et al., 1984gas phase; Entropy change calculated or estimated; M

(CH3O- • Water) + Water = (CH3O- • 2Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.2kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr25.3cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.2296.FAMacKay and Bohme, 1978gas phase; From thermochemical cycle,switching reaction(OH-)2H2O; Meot-Ner(Mautner), 1986; M

(HO4S- • 2Sulfuric Acid) + Water = (HO4S- • Water • 2Sulfuric Acid)

By formula: (HO4S- • 2H2O4S) + H2O = (HO4S- • H2O • 2H2O4S)

Quantity Value Units Method Reference Comment
Δr12.1kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
6.3233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 3Sulfuric Acid) + Water = (HO4S- • Water • 3Sulfuric Acid)

By formula: (HO4S- • 3H2O4S) + H2O = (HO4S- • H2O • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr13.8kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.0233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • 4Sulfuric Acid) + Water = (HO4S- • Water • 4Sulfuric Acid)

By formula: (HO4S- • 4H2O4S) + H2O = (HO4S- • H2O • 4H2O4S)

Quantity Value Units Method Reference Comment
Δr13.9kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.1233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(HO4S- • Nitric acid) + Water = (HO4S- • Water • Nitric acid)

By formula: (HO4S- • HNO3) + H2O = (HO4S- • H2O • HNO3)

Quantity Value Units Method Reference Comment
Δr13.0kcal/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
7.2233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated; M

(C3H9O+ • Water) + Water = (C3H9O+ • 2Water)

By formula: (C3H9O+ • H2O) + H2O = (C3H9O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.4kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr14.9kcal/molHPMSBeggs and Field, 1971gas phase; M
Quantity Value Units Method Reference Comment
Δr24.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr21.5cal/mol*KHPMSBeggs and Field, 1971gas phase; M

(H2O4P- • Water) + Water = (H2O4P- • 2Water)

By formula: (H2O4P- • H2O) + H2O = (H2O4P- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3kcal/molES/HPMSBlades, Ho, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr20.8cal/mol*KES/HPMSBlades, Ho, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr6.1kcal/molES/HPMSBlades, Ho, et al., 1996gas phase; M
Δr6.1kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C2H7O+ • 2Water) + Water = (C2H7O+ • 3Water)

By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9kcal/molPHPMSTholman, Tonner, et al., 1994gas phase; M
Δr13.8kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr22.7cal/mol*KPHPMSTholman, Tonner, et al., 1994gas phase; M
Δr25.4cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ • 2Water) + Water = (C2H7O+ • 3Water)

By formula: (C2H7O+ • 2H2O) + H2O = (C2H7O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.4kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr14.2kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr24.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr26.cal/mol*KPHPMSKebarle, 1977gas phase; M

(C2H7O+ • 3Water) + Water = (C2H7O+ • 4Water)

By formula: (C2H7O+ • 3H2O) + H2O = (C2H7O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr12.5kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr22.8cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr26.cal/mol*KPHPMSKebarle, 1977gas phase; M

(C2H7O+ • Water) + Water = (C2H7O+ • 2Water)

By formula: (C2H7O+ • H2O) + H2O = (C2H7O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr18.7kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr19.2kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr26.9cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr28.cal/mol*KPHPMSKebarle, 1977gas phase; M

H2O4P- + Water = (H2O4P- • Water)

By formula: H2O4P- + H2O = (H2O4P- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.0kcal/molES/HPMSBlades, Ho, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr21.0cal/mol*KES/HPMSBlades, Ho, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
Δr7.7kcal/molES/HPMSBlades, Ho, et al., 1996gas phase; M
Δr7.6kcal/molES/HPMSBlades, Klassen, et al., 1995gas phase; M

(C4H6N+ • Water) + Water = (C4H6N+ • 2Water)

By formula: (C4H6N+ • H2O) + H2O = (C4H6N+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.4kcal/molPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr10.9kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; M
Quantity Value Units Method Reference Comment
Δr22.6cal/mol*KPHPMSNicol, Sunner, et al., 1988gas phase; M
Δr23.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1987gas phase; M

(MeOCH2CO2 anion • 2Water) + Water = (MeOCH2CO2 anion • 3Water)

By formula: (C3H5O3- • 2H2O) + H2O = (C3H5O3- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ClO2- • 2Water) + Water = (ClO2- • 3Water)

By formula: (ClO2- • 2H2O) + H2O = (ClO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(CF3CO2 anion • Water) + Water = (CF3CO2 anion • 2Water)

By formula: (C2F3O2- • H2O) + H2O = (C2F3O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

By formula: (Cl- • O2S • H2O) + O2S = (Cl- • 2O2S • H2O)

Quantity Value Units Method Reference Comment
Δr11.8kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr26.0cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
4.1296.HPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

(MeOCH2CO2 anion • Water) + Water = (MeOCH2CO2 anion • 2Water)

By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ClO2- • Water) + Water = (ClO2- • 2Water)

By formula: (ClO2- • H2O) + H2O = (ClO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(C2HF2O2- • Water) + Water = (C2HF2O2- • 2Water)

By formula: (C2HF2O2- • H2O) + H2O = (C2HF2O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

By formula: (C2H3O2- • 2C2H4O2 • H2O) + C2H4O2 = (C2H3O2- • 3C2H4O2 • H2O)

Quantity Value Units Method Reference Comment
Δr12.50 ± 0.60kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr5.73kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

By formula: (C2H3O2- • C2H4O2 • H2O) + C2H4O2 = (C2H3O2- • 2C2H4O2 • H2O)

Quantity Value Units Method Reference Comment
Δr19.69 ± 0.50kcal/molN/AMeot-ner, Elmore, et al., 1999gas phase; B
Δr16.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr10.81kcal/molTDAsMeot-ner, Elmore, et al., 1999gas phase; B
Δr6.2 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

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

By formula: Cs+ + H2O = (Cs+ • H2O)

Quantity Value Units Method Reference Comment
Δr11.9kcal/molDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr13.7kcal/molHPMSDzidic and Kebarle, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr14.3cal/mol*KDTMcKnight and Sawina, 1972gas phase; Entropy change is questionable; M
Δr19.4cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Δr11.7kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr23.5cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr23.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M

(NH4+ • 4Water) + Water = (NH4+ • 5Water)

By formula: (H4N+ • 4H2O) + H2O = (H4N+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr10.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr9.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr27.0cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M
Δr22.4cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.6kcal/molPHPMSSieck and Meot-ner, 1989gas phase; M
Δr12.6kcal/molPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSSieck and Meot-ner, 1989gas phase; M
Δr20.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M

(ICH2CO2 anion • 2Water) + Water = (ICH2CO2 anion • 3Water)

By formula: (C2H2IO2- • 2H2O) + H2O = (C2H2IO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

By formula: (K+ • C6H6 • H2O) + C6H6 = (K+ • 2C6H6 • H2O)

Quantity Value Units Method Reference Comment
Δr14.4kcal/molHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M
Quantity Value Units Method Reference Comment
Δr30.1cal/mol*KHPMSSunner, Nishizawa, et al., 1981gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

(FCH2CO2 anion • 2Water) + Water = (FCH2CO2 anion • 3Water)

By formula: (C2H2FO2- • 2H2O) + H2O = (C2H2FO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.60 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

By formula: (C7H5O2- • 2H2O) + H2O = (C7H5O2- • 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
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

(CH5O+ • 2Water) + Water = (CH5O+ • 3Water)

By formula: (CH5O+ • 2H2O) + H2O = (CH5O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr14.1kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr14.8kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr25.1cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr25.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 3Water) + Water = (CH5O+ • 4Water)

By formula: (CH5O+ • 3H2O) + H2O = (CH5O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.6kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr11.6kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr22.1cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(MeCH(OH)CO2 anion • Water) + Water = (MeCH(OH)CO2 anion • 2Water)

By formula: (C3H5O3- • H2O) + H2O = (C3H5O3- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ICH2CO2 anion • Water) + Water = (ICH2CO2 anion • 2Water)

By formula: (C2H2IO2- • H2O) + H2O = (C2H2IO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.3 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.30 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(FCH2CO2 anion • Water) + Water = (FCH2CO2 anion • 2Water)

By formula: (C2H2FO2- • H2O) + H2O = (C2H2FO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.9 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.90 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

By formula: (C7H5O2- • H2O) + H2O = (C7H5O2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(CH5O+ • Water) + Water = (CH5O+ • 2Water)

By formula: (CH5O+ • H2O) + H2O = (CH5O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr19.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr21.0kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr27.3cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr28.9cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 4Water) + Water = (CH5O+ • 5Water)

By formula: (CH5O+ • 4H2O) + H2O = (CH5O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr9.1kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.7cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr18.5cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(CH5O+ • 5Water) + Water = (CH5O+ • 6Water)

By formula: (CH5O+ • 5H2O) + H2O = (CH5O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr8.9kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr9.4kcal/molPHPMSMeot-Ner (Mautner), 1984gas phase; M
Quantity Value Units Method Reference Comment
Δr20.2cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr22.2cal/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase; M

(Hydroxyl anion • 7Water) + Water = (Hydroxyl anion • 8Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr9.8kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
3.9245.PHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

C2H7O+ + Water = (C2H7O+ • Water)

By formula: C2H7O+ + H2O = (C2H7O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr26.5kcal/molPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr24.kcal/molPHPMSKebarle, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr30.5cal/mol*KPHPMSHiraoka, Takimoto, et al., 1986gas phase; M
Δr26.cal/mol*KPHPMSKebarle, 1977gas phase; M

(HO4S- • Water) + Water = (HO4S- • 2Water)

By formula: (HO4S- • H2O) + H2O = (HO4S- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.7 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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

By formula: (Cl- • 2H2O) + O2S = (Cl- • O2S • 2H2O)

Quantity Value Units Method Reference Comment
Δr14.1kcal/molHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M
Quantity Value Units Method Reference Comment
Δr19.4cal/mol*KHPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; M

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
8.4296.HPMSUpschulte, Schelling, et al., 1984gas phase; From thermochemical cycle; 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.

Arnold, Viggiano, et al., 1982
Arnold, F.; Viggiano, A.A.; Schlager, H., Implications for Trace Gases and Aerosols of Large Negative Ions Clusters in the Stratosphere, Nature, 1982, 297, 5865, 371, https://doi.org/10.1038/297371a0 . [all data]

Miller, Leopold, et al., 1985
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C., The Photoelectron Spectrum of H3O-, Bull. Am. Phys. Soc., 1985, 30, 880. [all data]

Paulson and Henchman, 1984
Paulson, J.F.; Henchman, M.J., On the Formation of H3O- in an Ion-Molecule Reaction in Ionic Processes in the Gas Phase,, M.A. Almoster Ferreira, Ed., Reidel, Dordrecht,, 1984, 331. [all data]

Griffiths and Harris, 1989
Griffiths, W.J.; Harris, F.M., Amended Interpretation of the Results Obtained in an Experimental Investigation of the Structure of the H3O- Ion, Int. J. Mass Spectrom. Ion Proc., 1989, 87, 1, R25, https://doi.org/10.1016/0168-1176(89)80017-5 . [all data]

Paulson and Henchman, 1982
Paulson, J.F.; Henchman, M.J., The Hydrated Negative Hydrogen Ion, Bull. Am. Phys. Soc., 1982, 27, 108. [all data]

Eaton, Arnold, et al., 1990
Eaton, J.G.; Arnold, S.T.; Bowen, K.H., The Negative Ion Photoelectron (Photodetachment) Spectra of NO-(H2O)n=1,2, Int. J. Mass Spectrom. Ion Proc., 1990, 102, 303, https://doi.org/10.1016/0168-1176(90)80066-C . [all data]

French, Hills, et al., 1973
French, M.A.; Hills, L.P.; Kebarle, P., Kinetics and Temperature Dependence of the Hydration of the Nitrosonium Ion in the Gas Phase, Can. J. Chem., 1973, 51, 3, 456, https://doi.org/10.1139/v73-068 . [all data]

McAdams and Bone, 1972
McAdams, M.J.; Bone, L.I., Reactions of NO+ with H2O in a Photoionization Mass Spectrometer, J. Chem. Phys., 1972, 57, 5, 2173, https://doi.org/10.1063/1.1678549 . [all data]

Howard, Rundle, et al., 1971
Howard, C.J.; Rundle, H.W.; Kaufman, F., Water Cluster Formation Rates of NO+ in He, Ar, N2, and O2 at 296 K, J. Chem. Phys., 1971, 55, 10, 4772, https://doi.org/10.1063/1.1675576 . [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]

Upschulte, Evans, et al., 1986
Upschulte, B.L.; Evans, D.H.; Keesee, R.G.; Castleman, A.W., Unpublished results, referred to in Keesee and Castleman, 1986, 1986. [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]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [all data]

MacKay and Bohme, 1978
MacKay, G.I.; Bohme, D.K., Proton-Transfer Reactions in Nitromethane at 297K, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 4, 327, https://doi.org/10.1016/0020-7381(78)80052-7 . [all data]

Peterson, Mark, et al., 1984
Peterson, K.I.; Mark, T.D.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas - Phase Mixed Clusters: H2O/CO2 with Na+, J. Phys. Chem., 1984, 88, 13, 2880, https://doi.org/10.1021/j150657a042 . [all data]

Hiraoka, Takimoto, et al., 1986
Hiraoka, K.; Takimoto, H.; Morise, K., Gas-Phase Hydration Reactions of Protonated Alcohols. Energetics and Bulk Hydration of Cluster Ions, J. Am. Chem. Soc., 1986, 108, 19, 5683, https://doi.org/10.1021/ja00279a004 . [all data]

Beggs and Field, 1971
Beggs, D.P.; Field, F.H., Reversible Reactions of Gas Phase Ions. II. Propane-Water System, J. Am. Chem. Soc., 1971, 93, 7, 1576, https://doi.org/10.1021/ja00736a002 . [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 to teh Metaphosphate, PO3-, Ion, J. Am. Chem. Soc., 1996, 118, 1, 196, https://doi.org/10.1021/ja952169w . [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]

Tholman, Tonner, et al., 1994
Tholman, D.; Tonner, D.S.; McMahon, T.B., Spontaneous Unimolecular Dissociation of Small Cluster Ions, (H3O)+(L)n and Cl-(H2O)n (n = 2-4), under Fourier Transform Ion Cyclotron Resonance Conditions, J. Phys. Chem., 1994, 98, 8, 2002, https://doi.org/10.1021/j100059a002 . [all data]

Hiraoka, Grimsrud, et al., 1974
Hiraoka, K.; Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Hydrogen Ion in Water - Dimethyl Ether and Methanol - Dimethyl Ether Mixtures, J. Am. Chem. Soc., 1974, 96, 11, 3359, https://doi.org/10.1021/ja00818a004 . [all data]

Kebarle, 1977
Kebarle, P., Ion Thermochemistry and Solvation from Gas Phase Ion Equilibria, Ann. Rev. Phys. Chem., 1977, 28, 1, 445, https://doi.org/10.1146/annurev.pc.28.100177.002305 . [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]

Upschulte, Schelling, et al., 1984
Upschulte, B.L.; Schelling, F.J.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas Phase Mixed Clusters: Water and Sulfur Dioxide with Na+ and Cl-, Chem. Phys. Lett., 1984, 111, 4-5, 389, https://doi.org/10.1016/0009-2614(84)85526-8 . [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]

McKnight and Sawina, 1972
McKnight, L.G.; Sawina, J.M., Drift Velocities and Interactions of Cs+ Ions with Atmospheric Gases, J. Chem. Phys., 1972, 57, 12, 5156, https://doi.org/10.1063/1.1678205 . [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]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [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]

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]

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]

Sunner, Nishizawa, et al., 1981
Sunner, J.; Nishizawa, K.; Kebarle, P., Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene, J. Phys. Chem., 1981, 85, 13, 1814, https://doi.org/10.1021/j150613a011 . [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]

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]

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]


Notes

Go To: Top, Reaction thermochemistry data, References