Hydronium cation
- Formula: H3O+
- Molecular weight: 19.0227
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-O
- 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:
- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 51
- Ion clustering data
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Vibrational and/or electronic energy levels
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: 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
H | (1/2)(2ν) |
I | Component of an inversion doublet |
T | Tentative assignment or approximate value |
References
Go To: Top, 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.
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]
Begemann, Gudeman, et al., 1983
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]
Stahn, Solka, et al., 1987
Stahn, A.; Solka, H.; Adams, H.; Urban, W.,
The,
Mol. Phys., 1987, 60, 1, 121, https://doi.org/10.1080/00268978700100091
. [all data]
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]
Jacox, 1994
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, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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