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Water

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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
MS - José A. Martinho Simões
RCD - Robert C. Dunbar

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 401 to 450

(HO- bullet 2Water) + Water = (HO- bullet 3Water)

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

Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Deltar16.2 ± 1.0kcal/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar9.0 ± 1.4kcal/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B

Iron ion (1+) + Water = (Iron ion (1+) bullet Water)

By formula: Fe+ + H2O = (Fe+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar29. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Deltar32.8kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
30.6 (+1.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Chromium ion (1+) + Water = (Chromium ion (1+) bullet Water)

By formula: Cr+ + H2O = (Cr+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar29. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Deltar21.9kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
30.8 (+2.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Manganese ion (1+) + Water = (Manganese ion (1+) bullet Water)

By formula: Mn+ + H2O = (Mn+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar33. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Deltar26.5kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
28.4 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Vanadium ion (1+) + Water = (Vanadium ion (1+) bullet Water)

By formula: V+ + H2O = (V+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar36. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Deltar35.1kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
35.1 (+8.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Nickel ion (1+) + Water = (Nickel ion (1+) bullet Water)

By formula: Ni+ + H2O = (Ni+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar37. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Deltar39.7kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
43.0 (+0.7,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

Cobalt ion (1+) + Water = (Cobalt ion (1+) bullet Water)

By formula: Co+ + H2O = (Co+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar37. ± 3.kcal/molCIDMagnera, David, et al., 1989gas phase; M
Deltar40.1kcal/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
38.5 (+1.4,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(C2H7O+ bullet 2Dimethyl ether bullet Water) + Dimethyl ether = (C2H7O+ bullet 3Dimethyl ether bullet Water)

By formula: (C2H7O+ bullet 2C2H6O bullet H2O) + C2H6O = (C2H7O+ bullet 3C2H6O bullet H2O)

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Deltar21.7kcal/molPHPMSTholman, Tonner, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar41.6cal/mol*KPHPMSTholman, Tonner, et al., 1994gas phase; M

(Hydronium cation bullet 3Nitrogen bullet 2Water) + Nitrogen = (Hydronium cation bullet 4Nitrogen bullet 2Water)

By formula: (H3O+ bullet 3N2 bullet 2H2O) + N2 = (H3O+ bullet 4N2 bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar3.kcal/molDTGheno and Fitaire, 1987gas phase; «DELTA»rH, «DELTA»rS approximate; M
Quantity Value Units Method Reference Comment
Deltar12.cal/mol*KDTGheno and Fitaire, 1987gas phase; «DELTA»rH, «DELTA»rS approximate; M

C16H34OP2Ru (solution) + Hydrogen cyanide (solution) = C17H33NP2Ru (solution) + Water (solution)

By formula: C16H34OP2Ru (solution) + CHN (solution) = C17H33NP2Ru (solution) + H2O (solution)

Quantity Value Units Method Reference Comment
Deltar<-9.39kcal/molEqSBryndza, Fong, et al., 1987solvent: Tetrahydrofuran; 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

H12O10S-2 + 7Water = H14O11S-2

By formula: H12O10S-2 + 7H2O = H14O11S-2

Quantity Value Units Method Reference Comment
Deltar13.9 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Deltar7.5 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Deltar7.50 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H14O11S-2 + 8Water = H16O12S-2

By formula: H14O11S-2 + 8H2O = H16O12S-2

Quantity Value Units Method Reference Comment
Deltar12.4 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.8 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Deltar6.70 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

H16O12S-2 + 9Water = H18O13S-2

By formula: H16O12S-2 + 9H2O = H18O13S-2

Quantity Value Units Method Reference Comment
Deltar11.8 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Deltar6.1 ± 2.0kcal/molTDAsBlades and Kebarle, 2005gas phase; B
Deltar6.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; B

(CN- bullet 3Water) + Hydrogen cyanide = (CN- bullet Hydrogen cyanide bullet 3Water)

By formula: (CN- bullet 3H2O) + CHN = (CN- bullet CHN bullet 3H2O)

Quantity Value Units Method Reference Comment
Deltar13.1kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
7.9262.PHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

(Hydroxyl anion bullet 5Water) + Water = (Hydroxyl anion bullet 6Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.2kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Deltar23.2cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

(Hydroxyl anion bullet 6Water) + Water = (Hydroxyl anion bullet 7Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Deltar23.9cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

C6H5NO2- + Water = (C6H5NO2- bullet Water)

By formula: C6H5NO2- + H2O = (C6H5NO2- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar13.50 ± 0.10kcal/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar21.9cal/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.00 ± 0.20kcal/molTDAsSieck, 1985gas phase; B

(C2H7O+ bullet Water bullet 2Dimethyl ether) + Water = (C2H7O+ bullet 2Water bullet 2Dimethyl ether)

By formula: (C2H7O+ bullet H2O bullet 2C2H6O) + H2O = (C2H7O+ bullet 2H2O bullet 2C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.4kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ bullet Water bullet 3Dimethyl ether) + Water = (C2H7O+ bullet 2Water bullet 3Dimethyl ether)

By formula: (C2H7O+ bullet H2O bullet 3C2H6O) + H2O = (C2H7O+ bullet 2H2O bullet 3C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.4kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar30.3cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ bullet 2Water bullet Dimethyl ether) + Water = (C2H7O+ bullet 3Water bullet Dimethyl ether)

By formula: (C2H7O+ bullet 2H2O bullet C2H6O) + H2O = (C2H7O+ bullet 3H2O bullet C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.6kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar26.8cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ bullet 2Water) + Dimethyl ether = (C2H7O+ bullet Dimethyl ether bullet 2Water)

By formula: (C2H7O+ bullet 2H2O) + C2H6O = (C2H7O+ bullet C2H6O bullet 2H2O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar22.8cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H7O+ bullet 3Water) + Dimethyl ether = (C2H7O+ bullet Dimethyl ether bullet 3Water)

By formula: (C2H7O+ bullet 3H2O) + C2H6O = (C2H7O+ bullet C2H6O bullet 3H2O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar16.9kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar32.9cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C4H5N+ bullet Water) + Water = (C4H5N+ bullet 2Water)

By formula: (C4H5N+ bullet H2O) + H2O = (C4H5N+ bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar8.6kcal/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Deltar15.cal/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M

C2H- + Water = (C2H- bullet Water)

By formula: C2H- + H2O = (C2H- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar16.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar18.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar10.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(C2H7O+ bullet Water bullet Dimethyl ether) + Water = (C2H7O+ bullet 2Water bullet Dimethyl ether)

By formula: (C2H7O+ bullet H2O bullet C2H6O) + H2O = (C2H7O+ bullet 2H2O bullet C2H6O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar13.6kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar24.6cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(CH2N+ bullet Water bullet Hydrogen cyanide) + Water = (CH2N+ bullet 2Water bullet Hydrogen cyanide)

By formula: (CH2N+ bullet H2O bullet CHN) + H2O = (CH2N+ bullet 2H2O bullet CHN)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar16.9kcal/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar23.8cal/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

C16H34OP2Ru (solution) + Methyl Alcohol (solution) = C17H36OP2Ru (solution) + Water (solution)

By formula: C16H34OP2Ru (solution) + CH4O (solution) = C17H36OP2Ru (solution) + H2O (solution)

Quantity Value Units Method Reference Comment
Deltar0.kcal/molESTBryndza, Fong, et al., 1987solvent: Tetrahydrofuran; 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

C2H7S+ + Water = (C2H7S+ bullet Water)

By formula: C2H7S+ + H2O = (C2H7S+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar12.kcal/molICRBerman and Beauchamp, 1986gas phase; bracketing; Lias, Liebman, et al., 1984; M
Deltar13.1kcal/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar22.6cal/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

cyclopentadienide anion + Water = (cyclopentadienide anion bullet Water)

By formula: C5H5- + H2O = (C5H5- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar11.0 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar16.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar6.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C2H2N- + Water = (C2H2N- bullet Water)

By formula: C2H2N- + H2O = (C2H2N- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar13.2 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar17.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar7.9 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

pyrrolide anion + Water = (pyrrolide anion bullet Water)

By formula: C4H4N- + H2O = (C4H4N- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar15.7 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar23.1cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar8.8 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

C2H3O- + Water = (C2H3O- bullet Water)

By formula: C2H3O- + H2O = (C2H3O- bullet H2O)

Quantity Value Units Method Reference Comment
Deltar15.4 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar19.5cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Deltar9.6 ± 1.0kcal/molTDAsMeot-ner, 1988gas phase; B

(C2H4N+ bullet 2Water bullet Acetonitrile) + Water = (C2H4N+ bullet 3Water bullet Acetonitrile)

By formula: (C2H4N+ bullet 2H2O bullet C2H3N) + H2O = (C2H4N+ bullet 3H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar22.3cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

(C2H7O+ bullet Water) + Dimethyl ether = (C2H7O+ bullet Dimethyl ether bullet Water)

By formula: (C2H7O+ bullet H2O) + C2H6O = (C2H7O+ bullet C2H6O bullet H2O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar18.5kcal/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar26.3cal/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C2H4N+ bullet Water bullet Acetonitrile) + Water = (C2H4N+ bullet 2Water bullet Acetonitrile)

By formula: (C2H4N+ bullet H2O bullet C2H3N) + H2O = (C2H4N+ bullet 2H2O bullet C2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.3kcal/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

(NH4+ bullet Ammonia bullet 2Water) + Ammonia = (NH4+ bullet 2Ammonia bullet 2Water)

By formula: (H4N+ bullet H3N bullet 2H2O) + H3N = (H4N+ bullet 2H3N bullet 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar33.9cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ bullet Water bullet 2Ammonia) + Water = (NH4+ bullet 2Water bullet 2Ammonia)

By formula: (H4N+ bullet H2O bullet 2H3N) + H2O = (H4N+ bullet 2H2O bullet 2H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.8cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(CH5O+ bullet Methyl Alcohol bullet Water) + Methyl Alcohol = (CH5O+ bullet 2Methyl Alcohol bullet Water)

By formula: (CH5O+ bullet CH4O bullet H2O) + CH4O = (CH5O+ bullet 2CH4O bullet H2O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Deltar16.4kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar26.5cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(NH4+ bullet 2Ammonia bullet Water) + Ammonia = (NH4+ bullet 3Ammonia bullet Water)

By formula: (H4N+ bullet 2H3N bullet H2O) + H3N = (H4N+ bullet 3H3N bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar15.0kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar34.3cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ bullet 2Water bullet Ammonia) + Water = (NH4+ bullet 3Water bullet Ammonia)

By formula: (H4N+ bullet 2H2O bullet H3N) + H2O = (H4N+ bullet 3H2O bullet H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.2kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar28.5cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(CO3- bullet Water) + Water = (CO3- bullet 2Water)

By formula: (CO3- bullet H2O) + H2O = (CO3- bullet 2H2O)

Quantity Value Units Method Reference Comment
Deltar13.6kcal/molHPMSKeesee, Lee, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar29.6cal/mol*KHPMSKeesee, Lee, et al., 1979gas phase; M

Free energy of reaction

DeltarG° (kcal/mol) T (K) Method Reference Comment
4.3296.FAFehsenfeld and Ferguson, 1974gas phase; M

(Hydronium cation bullet 27Water) + Water = (Hydronium cation bullet 28Water)

By formula: (H3O+ bullet 27H2O) + H2O = (H3O+ bullet 28H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.06kcal/molMKERShi, Ford, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Deltar27.77cal/mol*KMKERShi, Ford, et al., 1993gas phase; M

(NH4+ bullet Ammonia bullet Water) + Ammonia = (NH4+ bullet 2Ammonia bullet Water)

By formula: (H4N+ bullet H3N bullet H2O) + H3N = (H4N+ bullet 2H3N bullet H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar17.1kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar31.8cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(NH4+ bullet Water bullet Ammonia) + Water = (NH4+ bullet 2Water bullet Ammonia)

By formula: (H4N+ bullet H2O bullet H3N) + H2O = (H4N+ bullet 2H2O bullet H3N)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar12.7kcal/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Deltar25.0cal/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

(C4H11O2+ bullet 2Water bullet Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ bullet 3Water bullet Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ bullet 2H2O bullet C4H10O2) + H2O = (C4H11O2+ bullet 3H2O bullet C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.2kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.8cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(C4H11O2+ bullet Water bullet 2Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ bullet 2Water bullet 2Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ bullet H2O bullet 2C4H10O2) + H2O = (C4H11O2+ bullet 2H2O bullet 2C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.8kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.4cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

Lithium ion (1+) + Water = (Lithium ion (1+) bullet Water)

By formula: Li+ + H2O = (Li+ bullet H2O)

Quantity Value Units Method Reference Comment
Deltar32.3 ± 1.9kcal/molCIDTRodgers and Armentrout, 2000RCD
Deltar34.kcal/molHPMSDzidic and Kebarle, 1970gas phase; interpolated; M
Quantity Value Units Method Reference Comment
Deltar23.cal/mol*KHPMSDzidic and Kebarle, 1970gas phase; interpolated; M

(C4H11O2+ bullet Water bullet Ethane, 1,2-dimethoxy-) + Water = (C4H11O2+ bullet 2Water bullet Ethane, 1,2-dimethoxy-)

By formula: (C4H11O2+ bullet H2O bullet C4H10O2) + H2O = (C4H11O2+ bullet 2H2O bullet C4H10O2)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar10.4kcal/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Deltar24.9cal/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

(CH5O+ bullet 2Water bullet 2Methyl Alcohol) + Water = (CH5O+ bullet 3Water bullet 2Methyl Alcohol)

By formula: (CH5O+ bullet 2H2O bullet 2CH4O) + H2O = (CH5O+ bullet 3H2O bullet 2CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar9.2kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar20.2cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

(CH5O+ bullet Water bullet 2Methyl Alcohol) + Water = (CH5O+ bullet 2Water bullet 2Methyl Alcohol)

By formula: (CH5O+ bullet H2O bullet 2CH4O) + H2O = (CH5O+ bullet 2H2O bullet 2CH4O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Deltar11.8kcal/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Deltar25.5cal/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; 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.

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]

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]

Magnera, David, et al., 1989
Magnera, T.F.; David, D.E.; Michl, J., Gas -Phase Water and Hydroxyl Binding Energies for Monopoisitive First - Row Transition - Metal Ions, J. Am. Chem. Soc., 1989, 111, 11, 4101, https://doi.org/10.1021/ja00193a051 . [all data]

Marinelli and Squires, 1989
Marinelli, P.J.; Squires, R.R., Sequential Solvation of Atomic Transition Metal Ions: The Second Solvent Molecule Can Bind More Strongly than the First, J. Am. Chem. Soc., 1989, 111, 11, 4101, https://doi.org/10.1021/ja00193a052 . [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [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]

Gheno and Fitaire, 1987
Gheno, F.; Fitaire, M., Association of N2 with NH4+ and H3O+(H2O)n, n = 1,2,3, J. Chem. Phys., 1987, 87, 2, 953, https://doi.org/10.1063/1.453250 . [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]

Blades and Kebarle, 2005
Blades, A.T.; Kebarle, P., Sequential hydration energies of the sulfate ion, from determinations of the equilibrium constants for the gas-phase reactions: SO4(H2O)(n)(2-) = SO4(H2O)(n-1)(2-)+H2O, J. Phys. Chem. A, 2005, 109, 37, 8293-8298, https://doi.org/10.1021/jp0540353 . [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]

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]

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]

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]

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, 1988
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]

Berman and Beauchamp, 1986
Berman, D.W.; Beauchamp, J.L., Quoted in Keesee and Castleman, 1986, 1986. [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]

Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W., The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters, J. Phys. Chem., 1985, 89, 24, 5222, https://doi.org/10.1021/j100270a021 . [all data]

Deakyne, Meot-Ner (Mautner), et al., 1986
Deakyne, C.A.; Meot-Ner (Mautner), M.; Campbell, C.L.; Hughes, M.G.; Murphy, S.P., Multicomponent Cluster Ions. 1. The Acetonitrile - Water System, J. Chem. Phys., 1986, 90, 4648. [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]

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]

Keesee, Lee, et al., 1979
Keesee, R.G.; Lee, N.; Castleman Jr., Properties of Clusters in the Gas Phase. 3. Hydration Complexes of CO3- and HCO3-, J. Am. Chem. Soc., 1979, 101, 10, 2599, https://doi.org/10.1021/ja00504a015 . [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]

Shi, Ford, et al., 1993
Shi, Z.; Ford, V.; Wei, S.; Castleman, A.W., Water Clusters - Contributions of Binding Energy and Entropy to Stability, J. Chem. Phys., 1993, 99, 10, 8009, https://doi.org/10.1063/1.465678 . [all data]

Meot-Ner (Mautner), Sieck, et al., 1994
Meot-Ner (Mautner), M.; Sieck, L.W.; Liebman, J.F.; Scheiner, S.; Duan, X., The Ionic Hydrogen Bond. 5. Polydentate and Solvent-Bridged Structures. Complexing of the Proton and the Hydronium Ions by Polyethers, J. Am. Chem. Soc., 1994, 116, 17, 7848, https://doi.org/10.1021/ja00096a047 . [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]

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]

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