H2O+

Ion clustering data

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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: 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

H2O+ + Water = (H2O+ • Water)

By formula: H2O+ + H2O = (H2O+ • H2O)

Quantity Value Units Method Reference Comment
ΔrH°36.kcal/molPINg, Trevor, et al., 1977gas phase; ΔrH>

H2O+ + Krypton = (H2O+ • Krypton)

By formula: H2O+ + Kr = (H2O+ • Kr)

Enthalpy of reaction

ΔrH° (kcal/mol) T (K) Method Reference Comment
7.6 (+2.3,-0.) PD/KERDKim, Kuo, et al., 1990gas phase

Vibrational and/or electronic energy levels

Go To: Top, 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:   B
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 36757 ± 12 gas Reutt, Wang, et al., 1986
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 Sym. stretch 2968 gas PE Reutt, Wang, et al., 1986
2 Bend 1596 gas PE Reutt, Wang, et al., 1986

State:   A
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
T = 13409.3 gas A-X 400 820 Lew and Heiber, 1973
Lew, 1976
Das and Farley, 1991
Dressler and Arnold, 1995
Huet, Hadj Bachir, et al., 1997
Wu, Yang, et al., 2003
Gan, Yang, et al., 2004
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 Sym. stretch 3547 ± 16 gas PE Reutt, Wang, et al., 1986
2 Bend 876.8 gas EM PE Lew, 1976
Reutt, Wang, et al., 1986

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 1 Sym. stretch 3212.86 gas PE LD Reutt, Wang, et al., 1986
Dinelli, Crofton, et al., 1988
1 Sym. stretch 3212.86 gas PI CC Tonkyn, Wiedmann, et al., 1991
Huet, Pursell, et al., 1992
1 Sym. stretch 3197.97 H gas PF Roth, Dopfer, et al., 2001
1 Sym. stretch 3144 gas PF Dopfer, Roth, et al., 2001
1 Sym. stretch 2672.22 A gas PF Dopfer, Roth, et al., 2000
1 Sym. stretch 3182.7 Ne IR Forney, Jacox, et al., 1993
1 Sym. stretch 3040.0 Ar IR Zhou, Yang, et al., 2005
2 Bend 1408.42 gas EM PE Lew and Heiber, 1973
Lew, 1976
Reutt, Wang, et al., 1986
2 Bend 1408.42 gas DL Brown, Davies, et al., 1989
2 Bend 1401.7 Ne IR Forney, Jacox, et al., 1993
b2 3 Asym. stretch 3259.04 gas LD CC Dinelli, Crofton, et al., 1988
Huet, Pursell, et al., 1992
3 Asym. stretch 3253.91 H gas PF Roth, Dopfer, et al., 2001
3 Asym. stretch 3253 gas PF Dopfer, Roth, et al., 2001
3 Asym. stretch 3283.91 A gas PF Dopfer, Roth, et al., 2000
3 Asym. stretch 3219.5 Ne IR Forney, Jacox, et al., 1993
3 Asym. stretch 3054.9 Ar IR Zhou, Yang, et al., 2005

Additional references: Jacox, 1994, page 24; Jacox, 1998, page 134; Jacox, 2003, page 20; Karlsson, Mattson, et al., 1975; Brzozowski, Erman, et al., 1975; Dixon, Duxbury, et al., 1976; Moehlmann, Bhutani, et al., 1978; Jungen, Hallin, et al., 1980; Strahan, Mueller, et al., 1986; Lew and Groleau, 1987; Duan, Zheng, et al., 2008

Notes

H(1/2)(2ν)
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
A0~1 cm-1 uncertainty

References

Go To: Top, 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.

Ng, Trevor, et al., 1977
Ng, C.Y.; Trevor, D.J.; Tiedemann, P.W.; Ceyer, S.T.; Kronebush, B.H.; Mahan, B.H.; Lee, Y.T., Photoinization of Dimeric Polyatomic Molecules: Proton Affinities of H2O and HF, J. Chem. Phys., 1977, 67, 9, 4235, https://doi.org/10.1063/1.435404 . [all data]

Kim, Kuo, et al., 1990
Kim, H.S.; Kuo, C.H.; Bowers, M.T., Photodissociation Dynamics of Water Containing Clusters. I. Kr.H2O+, J. Chem. Phys., 1990, 93, 8, 5594, https://doi.org/10.1063/1.459630 . [all data]

Reutt, Wang, et al., 1986
Reutt, J.E.; Wang, L.S.; Lee, Y.T.; Shirley, D.A., Molecular beam photoelectron spectroscopy and femtosecond intramolecular dynamics of H2O+ and D2O+, J. Chem. Phys., 1986, 85, 6928. [all data]

Lew and Heiber, 1973
Lew, H.; Heiber, I., Spectrum of H2O+, J. Chem. Phys., 1973, 58, 3, 1246, https://doi.org/10.1063/1.1679310 . [all data]

Lew, 1976
Lew, H., Electronic spectrum of H, Can. J. Phys., 1976, 54, 20, 2028, https://doi.org/10.1139/p76-241 . [all data]

Das and Farley, 1991
Das, B.; Farley, J.W., Observation of the visible absorption spectrum of H2O+, J. Chem. Phys., 1991, 95, 12, 8809, https://doi.org/10.1063/1.461215 . [all data]

Dressler and Arnold, 1995
Dressler, R.A.; Arnold, S.T., Spectroscopic verification of the theoretical reassignment of H2O+ A-state vibrational levels, J. Chem. Phys., 1995, 102, 8, 3481, https://doi.org/10.1063/1.468586 . [all data]

Huet, Hadj Bachir, et al., 1997
Huet, T.R.; Hadj Bachir, I.; Destombes, J.-L.; Vervloet, M., The A [sup 2]A[sub 1]--X [sup 2]B[sub 1] transition of H[sub 2]O[sup +] in the near infrared region, J. Chem. Phys., 1997, 107, 15, 5645, https://doi.org/10.1063/1.474326 . [all data]

Wu, Yang, et al., 2003
Wu, S.; Yang, X.; Guo, Y.; Zhuang, H.; Liu, Y.; Chen, Y., Observation and analysis of two subbands in the absorption spectrum of H2O+, J. Mol. Spectrosc., 2003, 219, 2, 258, https://doi.org/10.1016/S0022-2852(03)00016-X . [all data]

Gan, Yang, et al., 2004
Gan, Y.; Yang, X.; Guo, Y.; Wu, S.; Li, W.; Liu, Y.; Chen, Y., The absorption spectra of H, Mol. Phys., 2004, 102, 6, 611, https://doi.org/10.1080/00268970410001687425 . [all data]

Dinelli, Crofton, et al., 1988
Dinelli, B.M.; Crofton, M.W.; Oka, T., Infrared spectroscopy of the ν3 band of H2O+, J. Mol. Spectrosc., 1988, 127, 1, 1, https://doi.org/10.1016/0022-2852(88)90003-3 . [all data]

Tonkyn, Wiedmann, et al., 1991
Tonkyn, R.G.; Wiedmann, R.; Grant, E.R.; White, M.G., Rotationally resolved photoionization of H2O, J. Chem. Phys., 1991, 95, 10, 7033, https://doi.org/10.1063/1.461431 . [all data]

Huet, Pursell, et al., 1992
Huet, T.R.; Pursell, C.J.; Ho, W.C.; Dinelli, B.M.; Oka, T., Infrared spectroscopy and equilibrium structure of H2O+(X 2B1), J. Chem. Phys., 1992, 97, 9, 5977, https://doi.org/10.1063/1.463735 . [all data]

Roth, Dopfer, et al., 2001
Roth, D.; Dopfer, O.; Maier, J.P., Intermolecular potential energy surface of the proton-bound H2O+--He dimer: Ab initio calculations and IR spectra of the O--H stretch vibrations, Phys. Chem. Chem. Phys., 2001, 3, 12, 2400, https://doi.org/10.1039/b101384j . [all data]

Dopfer, Roth, et al., 2001
Dopfer, O.; Roth, D.; Maier, J.P., Microsolvation of the water cation in neon: Infrared spectra and potential energy surface of the H[sub 2]O[sup +]--Ne open-shell ionic complex, J. Chem. Phys., 2001, 114, 16, 7081, https://doi.org/10.1063/1.1359770 . [all data]

Dopfer, Roth, et al., 2000
Dopfer, O.; Roth, D.; Maier, J.P., Microsolvation of the Water Cation in Argon: II. Infrared Photodissociation Spectra of H, J. Phys. Chem. A, 2000, 104, 50, 11702, https://doi.org/10.1021/jp0024773 . [all data]

Forney, Jacox, et al., 1993
Forney, D.; Jacox, M.E.; Thompson, W.E., The vibrational spectra of molecular ions isolated in solid neon. X. H2O+, HDO+, and D2O+, J. Chem. Phys., 1993, 98, 2, 841, https://doi.org/10.1063/1.464248 . [all data]

Zhou, Yang, et al., 2005
Zhou, H.; Yang, R.; Jin, X.; Zhou, M., Infrared Spectra of the OH, J. Phys. Chem. A, 2005, 109, 27, 6003, https://doi.org/10.1021/jp0511808 . [all data]

Brown, Davies, et al., 1989
Brown, P.R.; Davies, P.G.; Stickland, R.J., Infrared laser spectroscopy of the 210 and 221 bands of H2O+(X 2B1), J. Chem. Phys., 1989, 91, 6, 3384, https://doi.org/10.1063/1.456913 . [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]

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]

Karlsson, Mattson, et al., 1975
Karlsson, L.; Mattson, L.; Jadrny, R.; Albridge, R.G.; Pinchas, S.; Bergmark, T.; Siegbahn, K., Isotopic and vibronic coupling effects in the valence electron spectra of H216O, H218O, and D216O, J. Chem. Phys., 1975, 62, 4745. [all data]

Brzozowski, Erman, et al., 1975
Brzozowski, J.; Erman, P.; Lew, H., Lifetimes of excited states in D2O+ and OD+ and relative lifetimes between the normal and deuterated species, Chem. Phys. Lett., 1975, 34, 2, 267, https://doi.org/10.1016/0009-2614(75)85270-5 . [all data]

Dixon, Duxbury, et al., 1976
Dixon, R.N.; Duxbury, G.; Rabalais, J.W.; Asbrink, L., Rovibronic structure in the photoelectron spectra of H2O, D2O and HDO, Mol. Phys., 1976, 31, 423. [all data]

Moehlmann, Bhutani, et al., 1978
Moehlmann, G.R.; Bhutani, K.K.; de Heer, F.J.; Tsurubuchi, S., Lifetimes of the vibronic Ã2A1 states of H2O+ and of the 3Πi (υ´ = 0) state of OH+, Chem. Phys., 1978, 31, 2, 273, https://doi.org/10.1016/0301-0104(78)87042-6 . [all data]

Jungen, Hallin, et al., 1980
Jungen, Ch.; Hallin, K-E.J.; Merer, A.J., Mol. Phys., 1980, 40, 25, 65. [all data]

Strahan, Mueller, et al., 1986
Strahan, S.E.; Mueller, R.P.; Saykally, R.J., Measurement of the rotational spectrum of the water cation (H2O+) by laser magnetic resonance, J. Chem. Phys., 1986, 85, 3, 1252, https://doi.org/10.1063/1.451263 . [all data]

Lew and Groleau, 1987
Lew, H.; Groleau, R., Electronic spectrum of D, Can. J. Phys., 1987, 65, 7, 739, https://doi.org/10.1139/p87-108 . [all data]

Duan, Zheng, et al., 2008
Duan, C.; Zheng, R.; Li, S.; Wang, R.; Huang, G., Infrared laser spectroscopy of the ν2 fundamental band of D2O+, J. Mol. Spectrosc., 2008, 251, 1-2, 22, https://doi.org/10.1016/j.jms.2008.01.004 . [all data]

Notes

Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, References