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:
  • Reaction thermochemistry data (reactions 1 to 50)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data: reactions 51 to 51
  • Ion clustering data
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
• Options:
  • Switch to calorie-based units

Reaction thermochemistry data

Go To: Top, Vibrational and/or electronic energy levels, 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. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

( • 2) +  = ( • 3)

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

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

 +  = ( • )

By formula: H₃O⁺ + H₂O = (H₃O⁺ • H₂O)

Bond type: Hydrogen bond (positive ion to hydride)

Free energy of reaction

( • ) +  = ( • 2)

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

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)

 +  = ( • )

By formula: H₃O⁺ + CO₂ = (H₃O⁺ • CO₂)

( • 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)

( • 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)

( • 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)

( • 9) +  = ( • 10)

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

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)

( • 7) +  = ( • 8)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • 2 • 3) +  = ( • 3 • 3)

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

( • 3) +  = ( • 4)

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

( • 3 • 2) +  = ( • 4 • 2)

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

( • 27) +  = ( • 28)

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

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( • 2)

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

( • 4) +  = ( •  • 4)

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

Free energy of reaction

( • 2 • 2) +  = ( • 3 • 2)

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

( • 2) +  = ( •  • 2)

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

( • 2 • ) +  = ( • 3 • )

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

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

( • 2) +  = ( • 3)

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

( • 2) +  = ( •  • 2)

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

( • ) +  = ( • 2)

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

( • ) +  = ( •  • )

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

( • 2) +  = ( • 3)

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

( • ) +  = ( • 2)

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

 +  = ( • )

By formula: H₃O⁺ + N₂O = (H₃O⁺ • N₂O)

 +  = ( • )

By formula: H₃O⁺ + O₂S = (H₃O⁺ • O₂S)

 +  = ( • )

By formula: H₃O⁺ + CH₄ = (H₃O⁺ • CH₄)

( • 3) +  = ( •  • 3)

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

Free energy of reaction

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, 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: Marilyn E. Jacox

State:   X

Additional references: Jacox, 1994, page 129; Jacox, 2003, page 160; Sears, Bunker, et al., 1985; Liu, Oka, et al., 1986; Verhoeve, Versluis, et al., 1989; Petek, Nesbitt, et al., 1990; Uy, White, et al., 1997; Araki, Ozeki, et al., 1998; Araki, Ozeki, et al., 1999; Dong, Uy, et al., 2005; Dong and Nesbitt, 2006; Furuya, Saito, et al., 2007; Furuya and Saito, 2008

Notes

References

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes

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

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

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

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

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

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

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]

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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]

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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]

Hiraoka, Fujimaki, et al., 1994
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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]

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Tang and Oka, 1999
Tang, J.; Oka, T., Infrared Spectroscopy of H3O+: The ν1 Fundamental Band, J. Mol. Spectrosc., 1999, 196, 1, 120, https://doi.org/10.1006/jmsp.1999.7844 . [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]

Haese and Oka, 1984
Haese, N.N.; Oka, T., Observation of the ν2 (1-←0+) inversion mode band in H3O+ by high resolution infrared spectroscopy, J. Chem. Phys., 1984, 80, 1, 572, https://doi.org/10.1063/1.446436 . [all data]

Lemoine and Destombes, 1984
Lemoine, B.; Destombes, J.L., Infrared spectroscopy of molecular ions in a magnetically confined glow discharge, Chem. Phys. Lett., 1984, 111, 3, 284, https://doi.org/10.1016/0009-2614(84)85507-4 . [all data]

Davies, Hamilton, et al., 1985
Davies, P.B.; Hamilton, P.A.; Johnson, S.A., Infrared laser spectroscopy of H_3O^+ between 510 and 1150 cm^-1, J. Opt. Soc. Am. B, 1985, 2, 5, 794, https://doi.org/10.1364/JOSAB.2.000794 . [all data]

Liu, Haese, et al., 1985
Liu, D.-J.; Haese, N.N.; Oka, T., Infrared spectrum of the ν2 vibration-inversion band of H3O+, J. Chem. Phys., 1985, 82, 12, 5368, https://doi.org/10.1063/1.448620 . [all data]

Zheng, Wang, et al., 2007
Zheng, R.; Wang, R.-B.; Li, S.; Huang, G.-M.; Duan, C.-X., Extended Measurement of the, Chin. Phys. Lett., 2007, 24, 9, 2569, https://doi.org/10.1088/0256-307X/24/9/029 . [all data]

Liu and Oka, 1985
Liu, D.-J.; Oka, T., Experimental Determination of the Ground-State Inversion Splitting in H_{3}O^{+}, Phys. Rev. Lett., 1985, 54, 16, 1787, https://doi.org/10.1103/PhysRevLett.54.1787 . [all data]

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Begemann, M.H.; Gudeman, C.S.; Pfaff, J.; Saykally, R., Detection of the Hydronium Ion (H_{3}O^{+}) by High-Resolution Infrared Spectroscopy, Phys. Rev. Lett., 1983, 51, 7, 554, https://doi.org/10.1103/PhysRevLett.51.554 . [all data]

Begemann and Saykally, 1985
Begemann, M.H.; Saykally, R.J., A study of the structure and dynamics of the hydronium ion by high-resolution infrared laser spectroscopy. I. The ν3 band of H3 16O+, J. Chem. Phys., 1985, 82, 8, 3570, https://doi.org/10.1063/1.448914 . [all data]

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Ho, Pursell, et al., 1991
Ho, W.C.; Pursell, C.J.; Oka, T., Infrared spectroscopy in an H2«58872»O2«58872»He discharge: H3O+, J. Mol. Spectrosc., 1991, 149, 2, 530, https://doi.org/10.1016/0022-2852(91)90308-W . [all data]

Keim, Polak, et al., 1990
Keim, E.R.; Polak, M.L.; Owrutsky, J.C.; Coe, J.V.; Saykally, R.J., Absolute infrared vibrational band intensities of molecular ions determined by direct laser absorption spectroscopy in fast ion beams, J. Chem. Phys., 1990, 93, 5, 3111, https://doi.org/10.1063/1.458845 . [all data]

Grubele, Polak, et al., 1987
Grubele, M.; Polak, M.; Saykally, R.J., A study of the structure and dynamics of the hydronium ion by high resolution infrared laser spectroscopy. II. The ν4 perpendicular bending mode of H3 16O+, J. Chem. Phys., 1987, 87, 6, 3347, https://doi.org/10.1063/1.453029 . [all data]

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Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Sears, Bunker, et al., 1985
Sears, T.J.; Bunker, P.R.; Davies, P.B.; Johnson, S.A.; Spirko, V., Diode laser absorption spectroscopy of D3O+: Determination of the equilibrium structure and potential function of the oxonium ion, J. Chem. Phys., 1985, 83, 6, 2676, https://doi.org/10.1063/1.449270 . [all data]

Liu, Oka, et al., 1986
Liu, D.-J.; Oka, T.; Sears, T.J., The calculated ν2 (inversion) spectrum of H3O+, J. Chem. Phys., 1986, 84, 3, 1312, https://doi.org/10.1063/1.450522 . [all data]

Verhoeve, Versluis, et al., 1989
Verhoeve, P.; Versluis, M.; Ter Meulen, J.J.; Meerts, W.L.; Dymanus, A., Far infrared laser sideband spectroscopy of H3O+: the pure inversion spectrum around 55 cm-1, Chem. Phys. Lett., 1989, 161, 3, 195, https://doi.org/10.1016/S0009-2614(89)87059-9 . [all data]

Petek, Nesbitt, et al., 1990
Petek, H.; Nesbitt, D.J.; Owrutsky, J.C.; Gudeman, C.S.; Yang, X.; Harris, D.O.; Moore, C.B.; Saykally, R.J., A study of the structure and dynamics of the hydronium ion by high resolution infrared laser spectroscopy. III. The ν3 band of D3O+, J. Chem. Phys., 1990, 92, 6, 3257, https://doi.org/10.1063/1.457884 . [all data]

Uy, White, et al., 1997
Uy, D.; White, E.T.; Oka, T., Observation of Δ|k - l| = 3 Transitions in the ν3Band of H3O+, J. Mol. Spectrosc., 1997, 183, 2, 240, https://doi.org/10.1006/jmsp.1997.7270 . [all data]

Araki, Ozeki, et al., 1998
Araki, M.; Ozeki, H.; Saito, S., Experimental determination of the ground-state inversion splitting in D[sub 3]O[sup +] by microwave spectroscopy, J. Chem. Phys., 1998, 198, 14, 5707, https://doi.org/10.1063/1.477191 . [all data]

Araki, Ozeki, et al., 1999
Araki, M.; Ozeki, H.; Saito, S., Microwave spectrum of the inversion---rotation transitions of the D, Mol. Phys., 1999, 97, 1-2, 177, https://doi.org/10.1080/00268979909482820 . [all data]

Dong, Uy, et al., 2005
Dong, F.; Uy, D.; Davis, S.; Child, M.; Nesbitt, D.J., Supersonically cooled hydronium ions in a slit-jet discharge: High-resolution infrared spectroscopy and tunneling dynamics of HD[sub 2]O[sup +], J. Chem. Phys., 2005, 122, 22, 224301, https://doi.org/10.1063/1.1924699 . [all data]

Dong and Nesbitt, 2006
Dong, F.; Nesbitt, D.J., Jet cooled spectroscopy of H[sub 2]DO[sup +]: Barrier heights and isotope-dependent tunneling dynamics from H[sub 3]O[sup +] to D[sub 3]O[sup +], J. Chem. Phys., 2006, 125, 14, 144311, https://doi.org/10.1063/1.2338520 . [all data]

Furuya, Saito, et al., 2007
Furuya, T.; Saito, S.; Araki, M., Microwave spectrum of the H[sub 2]DO[sup +] ion: Inversion-rotation transitions and inversion splitting, J. Chem. Phys., 2007, 127, 24, 244314, https://doi.org/10.1063/1.2813352 . [all data]

Furuya and Saito, 2008
Furuya, T.; Saito, S., Microwave spectrum of the HD[sub 2]O[sup +] ion: Inversion-rotation transitions and inversion splitting, J. Chem. Phys., 2008, 128, 3, 034311, https://doi.org/10.1063/1.2822284 . [all data]

Notes

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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