Hydronium cation

• Formula: H₃O⁺
• Molecular weight: 19.0227
• IUPAC Standard InChI: InChI=1S/H2O/h1H2/p+1 Copy

  
• IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-O Copy
• CAS Registry Number: 13968-08-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • Hydroxyl cation
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 51
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
• Options:
  • Switch to SI units

Ion clustering 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: H₃O⁺ + CH₄ = (H₃O⁺ • CH₄)

( • ) +  = ( • 2)

By formula: (H₃O⁺ • CH₄) + CH₄ = (H₃O⁺ • 2CH₄)

 +  = ( • )

By formula: H₃O⁺ + CO₂ = (H₃O⁺ • CO₂)

( • ) +  = ( • 2)

By formula: (H₃O⁺ • CO₂) + CO₂ = (H₃O⁺ • 2CO₂)

( • 2) +  = ( • 3)

By formula: (H₃O⁺ • 2CO₂) + CO₂ = (H₃O⁺ • 3CO₂)

 +  = ( • )

By formula: H₃O⁺ + H₂O = (H₃O⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 2) +  = ( •  • 2)

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

( • ) +  = ( • 2)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 2) +  = ( • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 3) +  = ( • 4)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 4) +  = ( • 5)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • 5) +  = ( • 6)

By formula: (H₃O⁺ • 5H₂O) + H₂O = (H₃O⁺ • 6H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 6) +  = ( • 7)

By formula: (H₃O⁺ • 6H₂O) + H₂O = (H₃O⁺ • 7H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 7) +  = ( • 8)

By formula: (H₃O⁺ • 7H₂O) + H₂O = (H₃O⁺ • 8H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 8) +  = ( • 9)

By formula: (H₃O⁺ • 8H₂O) + H₂O = (H₃O⁺ • 9H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 9) +  = ( • 10)

By formula: (H₃O⁺ • 9H₂O) + H₂O = (H₃O⁺ • 10H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 10) +  = ( • 11)

By formula: (H₃O⁺ • 10H₂O) + H₂O = (H₃O⁺ • 11H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 11) +  = ( • 12)

By formula: (H₃O⁺ • 11H₂O) + H₂O = (H₃O⁺ • 12H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 12) +  = ( • 13)

By formula: (H₃O⁺ • 12H₂O) + H₂O = (H₃O⁺ • 13H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 13) +  = ( • 14)

By formula: (H₃O⁺ • 13H₂O) + H₂O = (H₃O⁺ • 14H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 14) +  = ( • 15)

By formula: (H₃O⁺ • 14H₂O) + H₂O = (H₃O⁺ • 15H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 15) +  = ( • 16)

By formula: (H₃O⁺ • 15H₂O) + H₂O = (H₃O⁺ • 16H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 16) +  = ( • 17)

By formula: (H₃O⁺ • 16H₂O) + H₂O = (H₃O⁺ • 17H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 17) +  = ( • 18)

By formula: (H₃O⁺ • 17H₂O) + H₂O = (H₃O⁺ • 18H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 18) +  = ( • 19)

By formula: (H₃O⁺ • 18H₂O) + H₂O = (H₃O⁺ • 19H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 19) +  = ( • 20)

By formula: (H₃O⁺ • 19H₂O) + H₂O = (H₃O⁺ • 20H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 20) +  = ( • 21)

By formula: (H₃O⁺ • 20H₂O) + H₂O = (H₃O⁺ • 21H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 21) +  = ( • 22)

By formula: (H₃O⁺ • 21H₂O) + H₂O = (H₃O⁺ • 22H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 22) +  = ( • 23)

By formula: (H₃O⁺ • 22H₂O) + H₂O = (H₃O⁺ • 23H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 23) +  = ( • 24)

By formula: (H₃O⁺ • 23H₂O) + H₂O = (H₃O⁺ • 24H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 24) +  = ( • 25)

By formula: (H₃O⁺ • 24H₂O) + H₂O = (H₃O⁺ • 25H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 25) +  = ( • 26)

By formula: (H₃O⁺ • 25H₂O) + H₂O = (H₃O⁺ • 26H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 26) +  = ( • 27)

By formula: (H₃O⁺ • 26H₂O) + H₂O = (H₃O⁺ • 27H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

( • 27) +  = ( • 28)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( •  • )

By formula: (H₃O⁺ • H₂O) + N₂ = (H₃O⁺ • N₂ • H₂O)

( • 2) +  = ( •  • 2)

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

( • 3) +  = ( •  • 3)

By formula: (H₃O⁺ • 3H₂O) + O₂S = (H₃O⁺ • O₂S • 3H₂O)

Free energy of reaction

( • 4) +  = ( •  • 4)

By formula: (H₃O⁺ • 4H₂O) + O₂S = (H₃O⁺ • O₂S • 4H₂O)

Free energy of reaction

 +  = ( • )

By formula: H₃O⁺ + H₂ = (H₃O⁺ • H₂)

 +  = ( • )

By formula: H₃O⁺ + N₂O = (H₃O⁺ • N₂O)

( • ) +  = ( • 2)

By formula: (H₃O⁺ • N₂O) + N₂O = (H₃O⁺ • 2N₂O)

( • 2) +  = ( • 3)

By formula: (H₃O⁺ • 2N₂O) + N₂O = (H₃O⁺ • 3N₂O)

( • 3) +  = ( • 4)

By formula: (H₃O⁺ • 3N₂O) + N₂O = (H₃O⁺ • 4N₂O)

( •  • ) +  = ( • 2 • )

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

( •  • 2) +  = ( • 2 • 2)

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

( •  • 3) +  = ( • 2 • 3)

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

( • 2 • ) +  = ( • 3 • )

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

( • 2 • 2) +  = ( • 3 • 2)

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

( • 2 • 3) +  = ( • 3 • 3)

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

( • 3 • 2) +  = ( • 4 • 2)

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

 +  = ( • )

By formula: H₃O⁺ + O₂S = (H₃O⁺ • O₂S)

References

Go To: Top, Ion clustering data, Notes

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

Bennet and Field, 1972
Bennet, S.L.; Field, F.H., Reversible Reactions of Gaseous Ions. V. The Methane - Water System at Low Temperatures, J. Am. Chem. Soc., 1972, 94, 15, 5188, https://doi.org/10.1021/ja00770a008 . [all data]

Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B., personal communication, 1992. [all data]

Hiraoka, Shoda, et al., 1986
Hiraoka, K.; Shoda, T.; Morise, K.; Yamabe, S.; Kawai, E.; Hirao, K., Stability and structure of cluster ions in the gas phase: Carbon dioxide with Cl^-, H₃O⁺, HCO₂⁺ and HCO⁺, J. Chem. Phys., 1986, 84, 2091. [all data]

Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H., Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry, J. Chem. Phys., 1977, 66, 10, 4527, https://doi.org/10.1063/1.433706 . [all data]

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

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

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

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

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

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

Lau, Ikuta, et al., 1982
Lau, Y.K.; Ikuta, S.; Kebarle, P., Thermodynamics and Kinetics of the Gas - Phase Reactions: H3O+(H2O)n - 1 + H2O = H3O+(H2O)n, J. Am. Chem. Soc., 1982, 104, 6, 1462, https://doi.org/10.1021/ja00370a002 . [all data]

Kebarle, Searles, et al., 1967
Kebarle, P.; Searles, S.K.; Zolla, A.; Scarborough, J.; Arshadi, M., The Solvation of the Hydrogen Ion by Water Molecules in the Gas Phase. Heats and Entropies of Solvation of the Individual Reactions: H+(H2O)n-1 + H2O = H+(H2O)n, J. Am. Chem. Soc., 1967, 89, 25, 6393, https://doi.org/10.1021/ja01001a001 . [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]

Magnera, David, et al., 1991
Magnera, T.F.; David, D.E.; Michl, J., The First Twenty - Eight Proton Hydration Energies, Chem. Phys. Lett., 1991, 182, 3-4, 363, https://doi.org/10.1016/0009-2614(91)80230-U . [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]

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

Okumura, Yeh, et al., 1990
Okumura, M.; Yeh, L.I.; Myers, J.D.; Lee, Y.T., Infrared Spectra of the Solvated Hydronium Ion: Vibrational Predissociation Spectroscopy of Mass-Selected H3O+.(H2O)n.(H2)m, J. Phys. Chem., 1990, 94, 9, 3416, https://doi.org/10.1021/j100372a014 . [all data]

Hiraoka, Fujimaki, et al., 1994
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Sato, T.; Yamabe, S., Gas-Phase Solavtion of NO+, O2+, N2O+, and H3O+ with N2O, J. Chem. Phys., 1994, 101, 5, 4073, https://doi.org/10.1063/1.467524 . [all data]

Notes

Go To: Top, Ion clustering data, References

• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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