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H5O2+


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: Marilyn E. Jacox

State:   X


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

b2 H2O s-stretch 3608.8 gas PF Yeh, Okumura, et al., 1989
H2O s-stretch 3603 gas PF Hammer
H2O s-stretch 3615 A gas PF Headrick, Diken, et al., 2005
Hammer
H2O s-stretch 3520 A gas PF Headrick, Diken, et al., 2005
Hammer
H2O s-stretch 3617 H gas PF Yeh, Okumura, et al., 1989
Okumura, Yeh, et al., 1990
H2O s-stretch 3528 H gas PF Yeh, Okumura, et al., 1989
Okumura, Yeh, et al., 1990
H2O deform. 1741 gas MPD Asmis, Pivonka, et al., 2003
H2O deform. 1756 gas MPD Fridgen, McMahon, et al., 2004
H2O deform. 1763 gas PF Hammer
H2O deform. 1768 A gas PF Headrick, Bopp, et al., 2004
Diken, Headrick, et al., 2005
Headrick, Diken, et al., 2005
Hammer
OHO a-stretch 1043 gas MPD Asmis, Pivonka, et al., 2003
OHO a-stretch 921 gas MPD Asmis, Pivonka, et al., 2003
OHO a-stretch 1047 gas PF Hammer
OHO a-stretch 928 gas PF Hammer
OHO a-stretch 1089 A gas PF Headrick, Bopp, et al., 2004
Diken, Headrick, et al., 2005
Headrick, Diken, et al., 2005
Hammer
OHO a-stretch 975 A gas PF Hammer
e H2O a-stretch 3684.4 gas MPD Yeh, Okumura, et al., 1989
Yeh, Lee, et al., 1994
H2O a-stretch 3683 gas PF Hammer
H2O a-stretch 3695 A gas PF Headrick, Diken, et al., 2005
Hammer
H2O a-stretch 3660 A gas PF Headrick, Diken, et al., 2005
Hammer
H2O a-stretch 3693 H gas PF Yeh, Okumura, et al., 1989
Okumura, Yeh, et al., 1990
H2O a-stretch 3662 H gas PF Yeh, Okumura, et al., 1989
Okumura, Yeh, et al., 1990

Additional references: Jacox, 1994, page 360; Jacox, 1998, page 323; Vendrell, Gatti, et al., 2007; McCunn, Roscioli, et al., 2008

Notes

H(1/2)(2nu)
A0~1 cm-1 uncertainty

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.

Yeh, Okumura, et al., 1989
Yeh, L.I.; Okumura, M.; Myers, J.D.; Price, J.M.; Lee, Y.T., Vibrational Spectroscopy of the Hydrated Hydronium Cluster Ions H3O+(H2O)n (n= 1, 2, 3), J. Chem. Phys., 1989, 91, 12, 7319, https://doi.org/10.1063/1.457305 . [all data]

Hammer
Hammer, N.I., E.G.Diken, J.R.Roscioli, M.A.Johnson, E.M.Myshakin, K.D.Jordan, A.B.McCoy, X. Huang, J.M. Bowman, S.Carter, J. Chem. Phys. 122,244301, 05. [all data]

Headrick, Diken, et al., 2005
Headrick, J.M.; Diken, E.G.; Walters, R.S.; Hammer, N.I.; Christie, R.A.; Cui, J.; Myshakin, E.M.; Duncan, M.A.; Johnson, M.A.; Jordan, K.D., Spectral Signatures of Hydrated Proton Vibrations in Water Clusters, Science, 2005, 308, 5729, 1765, https://doi.org/10.1126/science.1113094 . [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]

Asmis, Pivonka, et al., 2003
Asmis, K.R.; Pivonka, N.L.; Santambrogio, G.; Brummer, M.; Kaposta, C.; Neumark, D.M.; Woste, L., Gas-Phase Infrared Spectrum of the Protonated Water Dimer, Science, 2003, 299, 5611, 1375, https://doi.org/10.1126/science.1081634 . [all data]

Fridgen, McMahon, et al., 2004
Fridgen, T.D.; McMahon, T.B.; MacAleese, L.; Lemaire, J.; Maitre, P., Infrared Spectrum of the Protonated Water Dimer in the Gas Phase, J. Phys. Chem. A, 2004, 108, 42, 9008, https://doi.org/10.1021/jp040486w . [all data]

Headrick, Bopp, et al., 2004
Headrick, J.M.; Bopp, J.C.; Johnson, M.A., Predissociation spectroscopy of the argon-solvated H[sub 5]O[sub 2][sup +] "zundel" cation in the 1000--1900 cm-1 region, J. Chem. Phys., 2004, 121, 23, 11523, https://doi.org/10.1063/1.1834566 . [all data]

Diken, Headrick, et al., 2005
Diken, E.G.; Headrick, J.M.; Roscioli, J.R.; Bopp, J.C.; Johnson, M.A.; McCoy, A.B., Fundamental Excitations of the Shared Proton in the H, J. Phys. Chem. A, 2005, 109, 8, 1487, https://doi.org/10.1021/jp044155v . [all data]

Yeh, Lee, et al., 1994
Yeh, L.I.; Lee, Y.T.; Hougen, J.T., Vibration-Rotation Spectroscopy of the Hydrated Hydronium Ions H5O+2 and H9O+4, J. Mol. Spectrosc., 1994, 164, 2, 473, https://doi.org/10.1006/jmsp.1994.1090 . [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, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Vendrell, Gatti, et al., 2007
Vendrell, O.; Gatti, F.; Meyer, H.-D., Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics, J. Chem. Phys., 2007, 127, 18, 184303, https://doi.org/10.1063/1.2787596 . [all data]

McCunn, Roscioli, et al., 2008
McCunn, L.R.; Roscioli, J.R.; Johnson, M.A.; McCoy, A.B., An H/D Isotopic Substitution Study of the H, J. Phys. Chem. B, 2008, 112, 2, 321, https://doi.org/10.1021/jp075289m . [all data]


Notes

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