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- • 2Water) + Water = (HO- • 3Water)

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

Quantity Value Units Method Reference Comment
Δr63.2 ± 4.2kJ/molTDAsPayzant, Yamdagni, et al., 1971gas phase; B
Δr67.8 ± 4.2kJ/molN/AMeot-Ner (Mautner) and Speller, 1986gas phase; B
Quantity Value Units Method Reference Comment
Δr38. ± 5.9kJ/molTDAsMeot-Ner (Mautner) and Speller, 1986gas phase; B

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

By formula: Fe+ + H2O = (Fe+ • H2O)

Quantity Value Units Method Reference Comment
Δr120. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Δr137.kJ/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
128. (+5.0,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Cr+ + H2O = (Cr+ • H2O)

Quantity Value Units Method Reference Comment
Δr120. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Δr91.6kJ/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
129. (+9.2,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Mn+ + H2O = (Mn+ • H2O)

Quantity Value Units Method Reference Comment
Δr140. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Δr111.kJ/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
119. (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: V+ + H2O = (V+ • H2O)

Quantity Value Units Method Reference Comment
Δr150. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Δr147.kJ/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
147. (+35.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Ni+ + H2O = (Ni+ • H2O)

Quantity Value Units Method Reference Comment
Δr150. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Δr166.kJ/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
180. (+3.,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

By formula: Co+ + H2O = (Co+ • H2O)

Quantity Value Units Method Reference Comment
Δr160. ± 10.kJ/molCIDMagnera, David, et al., 1989gas phase; M
Δr168.kJ/molCIDMarinelli and Squires, 1989gas phase; M

Enthalpy of reaction

ΔrH° (kJ/mol) T (K) Method Reference Comment
161. (+5.9,-0.) CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

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

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

Bond type: Hydrogen bonds between protonated and neutral organics

Quantity Value Units Method Reference Comment
Δr90.8kJ/molPHPMSTholman, Tonner, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr174.J/mol*KPHPMSTholman, Tonner, et al., 1994gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr10.kJ/molDTGheno and Fitaire, 1987gas phase; ΔrH, ΔrS approximate; M
Quantity Value Units Method Reference Comment
Δr50.J/mol*KDTGheno and Fitaire, 1987gas phase; ΔrH, ΔrS 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
Δr<-39.3kJ/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
Δr58.2 ± 8.4kJ/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr31. ± 8.4kJ/molTDAsBlades and Kebarle, 2005gas phase; B
Δr31.4 ± 1.3kJ/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
Δr51.9 ± 8.4kJ/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr28. ± 8.4kJ/molTDAsBlades and Kebarle, 2005gas phase; B
Δr28.0 ± 1.3kJ/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
Δr49.4 ± 8.4kJ/molTDAsBlades and Kebarle, 2005gas phase; B
Quantity Value Units Method Reference Comment
Δr26. ± 8.4kJ/molTDAsBlades and Kebarle, 2005gas phase; B
Δr25.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr54.8kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M

Free energy of reaction

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

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr46.9kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr97.1J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.5kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSMeot-Ner (Mautner) and Speller, 1986gas phase; deuterated; M

C6H5NO2- + Water = (C6H5NO2- • Water)

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

Quantity Value Units Method Reference Comment
Δr56.48 ± 0.42kJ/molTDAsSieck, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KPHPMSSieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr29.3 ± 0.84kJ/molTDAsSieck, 1985gas phase; B

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr47.7kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr127.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr47.7kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr127.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr48.5kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr112.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

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

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

Quantity Value Units Method Reference Comment
Δr68.6kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr95.4J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

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

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

Quantity Value Units Method Reference Comment
Δr70.7kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr138.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

(C4H5N+ • Water) + Water = (C4H5N+ • 2Water)

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

Quantity Value Units Method Reference Comment
Δr36.kJ/molPHPMSHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr63.J/mol*KN/AHiraoka, Takimoto, et al., 1987gas phase; Entropy change calculated or estimated; M

C2H- + Water = (C2H- • Water)

By formula: C2H- + H2O = (C2H- • H2O)

Quantity Value Units Method Reference Comment
Δr67.8 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr77.8J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr44.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr56.9kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr103.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr70.7kJ/molPHPMSMeot-Ner (Mautner) and Speller, 1989gas phase; n; M
Quantity Value Units Method Reference Comment
Δr99.6J/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
Δr0.kJ/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+ • Water)

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

Quantity Value Units Method Reference Comment
Δr50.kJ/molICRBerman and Beauchamp, 1986gas phase; bracketing; Lias, Liebman, et al., 1984; M
Δr54.8kJ/molPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M
Quantity Value Units Method Reference Comment
Δr94.6J/mol*KPHPMSMeot-Ner (Mautner) and Sieck, 1985gas phase; M

cyclopentadienide anion + Water = (cyclopentadienide anion • Water)

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

Quantity Value Units Method Reference Comment
Δr46.0 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr67.4J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr26. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

C2H2N- + Water = (C2H2N- • Water)

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

Quantity Value Units Method Reference Comment
Δr55.2 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr73.6J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr33. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

pyrrolide anion + Water = (pyrrolide anion • Water)

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

Quantity Value Units Method Reference Comment
Δr65.7 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr96.7J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr37. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

C2H3O- + Water = (C2H3O- • Water)

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

Quantity Value Units Method Reference Comment
Δr64.4 ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B,M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr40. ± 4.2kJ/molTDAsMeot-ner, 1988gas phase; B

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.1kJ/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

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

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

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

Quantity Value Units Method Reference Comment
Δr77.4kJ/molPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSHiraoka, Grimsrud, et al., 1974gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr64.0kJ/molPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSDeakyne, Meot-Ner (Mautner), et al., 1986gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr65.7kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr142.J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr49.0kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr116.J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

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

Quantity Value Units Method Reference Comment
Δr68.6kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr111.J/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr62.8kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr144.J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr51.0kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr119.J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr56.9kJ/molHPMSKeesee, Lee, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr124.J/mol*KHPMSKeesee, Lee, et al., 1979gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
18.296.FAFehsenfeld and Ferguson, 1974gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr37.9kJ/molMKERShi, Ford, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr116.2J/mol*KMKERShi, Ford, et al., 1993gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr71.5kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr133.J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr53.1kJ/molPHPMSPayzant, Cunningham, et al., 1973gas phase; M
Quantity Value Units Method Reference Comment
Δr105.J/mol*KPHPMSPayzant, Cunningham, et al., 1973gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr42.7kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr102.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

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

By formula: Li+ + H2O = (Li+ • H2O)

Quantity Value Units Method Reference Comment
Δr135. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD
Δr140.kJ/molHPMSDzidic and Kebarle, 1970gas phase; interpolated; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KHPMSDzidic and Kebarle, 1970gas phase; interpolated; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr43.5kJ/molPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M
Quantity Value Units Method Reference Comment
Δr104.J/mol*KPHPMSMeot-Ner (Mautner), Sieck, et al., 1994gas phase; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr84.5J/mol*KPHPMSMeot-Ner(Mautner), 1986gas phase; n; M

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

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

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr49.4kJ/molPHPMSMeot-Ner(Mautner), 1986gas phase; n; M
Quantity Value Units Method Reference Comment
Δr107.J/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