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Hydronium cation


Vibrational and/or electronic energy levels

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

Data compiled by: M.E. Jacox

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a1 1 OH stretch 3491.17 I gas LD Tang and Oka, 1999
1 OH stretch 3389.66 I gas LD Tang and Oka, 1999
1 OH stretch 3490 T H gas PF Okumura, Yeh, et al., 1990
2 Umbrella 954.40 I gas DL Haese and Oka, 1984
Lemoine and Destombes, 1984
Davies, Hamilton, et al., 1985
Liu, Haese, et al., 1985
Zheng, Wang, et al., 2007
2 Umbrella 525.82 I gas DL Davies, Hamilton, et al., 1985
Liu and Oka, 1985
Liu, Haese, et al., 1985
(H2)H-O stretch 3120 H gas PF Okumura, Yeh, et al., 1990
e 3 OH stretch 3535.56 I gas CC Begemann, Gudeman, et al., 1983
Begemann and Saykally, 1985
Stahn, Solka, et al., 1987
Ho, Pursell, et al., 1991
3 OH stretch 3518.95 I gas CC Begemann, Gudeman, et al., 1983
Begemann and Saykally, 1985
Stahn, Solka, et al., 1987
Keim, Polak, et al., 1990
Ho, Pursell, et al., 1991
3 OH stretch 3560 H gas PF Okumura, Yeh, et al., 1990
3 OH stretch 3550 H gas PF Okumura, Yeh, et al., 1990
4 Deformation 1625.95 I gas DL Grubele, Polak, et al., 1987
4 Deformation 1638.53 I gas DL Grubele, Polak, et al., 1987

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)(2nu)
IComponent of an inversion doublet
TTentative 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 «nu»1 Fundamental Band, J. Mol. Spectrosc., 1999, 196, 1, 120. [doi: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. [doi:10.1021/j100372a014] [all data]

Haese and Oka, 1984
Haese, N.N.; Oka, T., Observation of the «nu»2 (1-<--0+) inversion mode band in H3O+ by high resolution infrared spectroscopy, J. Chem. Phys., 1984, 80, 1, 572. [doi: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. [doi: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. [doi:10.1364/JOSAB.2.000794] [all data]

Liu, Haese, et al., 1985
Liu, D.-J.; Haese, N.N.; Oka, T., Infrared spectrum of the «nu»2 vibration-inversion band of H3O+, J. Chem. Phys., 1985, 82, 12, 5368. [doi: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. [doi: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. [doi: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. [doi: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 «nu»3 band of H3 16O+, J. Chem. Phys., 1985, 82, 8, 3570. [doi: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. [doi: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. [doi: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. [doi: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 «nu»4 perpendicular bending mode of H3 16O+, J. Chem. Phys., 1987, 87, 6, 3347. [doi: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. [doi: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. [doi:10.1063/1.449270] [all data]

Liu, Oka, et al., 1986
Liu, D.-J.; Oka, T.; Sears, T.J., The calculated «nu»2 (inversion) spectrum of H3O+, J. Chem. Phys., 1986, 84, 3, 1312. [doi: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. [doi: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 «nu»3 band of D3O+, J. Chem. Phys., 1990, 92, 6, 3257. [doi:10.1063/1.457884] [all data]

Uy, White, et al., 1997
Uy, D.; White, E.T.; Oka, T., Observation of «DELTA»|k - l| = 3 Transitions in the «nu»3Band of H3O+, J. Mol. Spectrosc., 1997, 183, 2, 240. [doi: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. [doi: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. [doi: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. [doi: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. [doi: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. [doi: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. [doi:10.1063/1.2822284] [all data]


Notes

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