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

Go To: Top, Ion clustering data, 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.

Ion clustering data

Go To: Top, Gas phase thermochemistry data, 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. 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)

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Ion clustering 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, Gas phase thermochemistry data, Ion clustering 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.

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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]

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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, Gas phase thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  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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