Chlorine dioxide anion


Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

ClO2- + Water = (ClO2- • Water)

By formula: ClO2- + H2O = (ClO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr15.20 ± 0.50kcal/molTherTschurl and Boesl, 2007gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B
Δr16.0 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr9.00 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ClO2- • 2Water) + Water = (ClO2- • 3Water)

By formula: (ClO2- • 2H2O) + H2O = (ClO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr11.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr4.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

(ClO2- • Water) + Water = (ClO2- • 2Water)

By formula: (ClO2- • H2O) + H2O = (ClO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

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:   D


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 62200 ± 80 gas Flesch, Ruhl, et al., 1993


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

a1 485 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   d


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 59460 ± 80 gas Cornford, Frost, et al., 1971
Cornford, Frost, et al., 1972
Flesch, Ruhl, et al., 1993


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

a1 1 ClO s-stretch 605 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   C


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 39530 ± 80 gas Cornford, Frost, et al., 1971
Cornford, Frost, et al., 1972
Flesch, Ruhl, et al., 1993


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

a1 1 ClO s-stretch 765 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   B


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 25410 ± 80 gas Flesch, Ruhl, et al., 1993


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

a1 1 ClO s-stretch 725 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   A


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 24040 ± 80 gas Flesch, Ruhl, et al., 1993


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

a1 1 ClO s-stretch 810 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   c


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 19690 ± 80 gas Cornford, Frost, et al., 1971
Cornford, Frost, et al., 1972
Flesch, Ruhl, et al., 1993

State:   b


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

Tx = 20330 ± 80 gas Flesch, Ruhl, et al., 1993


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

a1 2 Bend 485 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   a


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 16540 ± 80 gas Cornford, Frost, et al., 1971
Cornford, Frost, et al., 1972
Flesch, Ruhl, et al., 1993


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

a1 1 ClO s-stretch 765 ± 40 gas PE Flesch, Ruhl, et al., 1993

State:   X


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

a1 1 ClO s-stretch 1015 ± 40 gas PE Cornford, Frost, et al., 1972
Flesch, Ruhl, et al., 1993
2 Bend 520 ± 40 gas PE Cornford, Frost, et al., 1972
Flesch, Ruhl, et al., 1993

Additional references: Jacox, 1994, page 106; Jacox, 2003, page 144; Mok, Lee, et al., 2000

Notes

oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Reaction thermochemistry 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.

Tschurl and Boesl, 2007
Tschurl, M.; Boesl, U., Photodetachment photoelectron spectroscopy of the weakly bound OClO-center dot H2O complex, Z. Phys. Chem., 2007, 221, 5, 609-618, https://doi.org/10.1524/zpch.2007.221.5.609 . [all data]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Flesch, Ruhl, et al., 1993
Flesch, R.; Ruhl, E.; Hottmann, K.; Baumgartel, H., Photoabsorption and photoionization of chlorine dioxide, J. Phys. Chem., 1993, 97, 837. [all data]

Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A., The photoelectron spectrum of the free radical chlorine dioxide, Chem. Phys. Lett., 1971, 10, 345. [all data]

Cornford, Frost, et al., 1972
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A., J. Chem. Soc., 1972, Faraday Disc. 54, 56. [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]

Mok, Lee, et al., 2000
Mok, D.K.W.; Lee, E.P.F.; Chau, F.-T.; Wang, D.-C.; Dyke, J.M., A new method of calculation of Franck--Condon factors which includes allowance for anharmonicity and the Duschinsky effect: Simulation of the He I photoelectron spectrum of ClO[sub 2], J. Chem. Phys., 2000, 113, 14, 5791, https://doi.org/10.1063/1.1290124 . [all data]


Notes

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