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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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

ClO2- + Water = (ClO2- bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar63.6 ± 2.1kJ/molTherTschurl and Boesl, 2007gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B
Deltar66.9 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar37.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar49.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar20.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar54.8 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar25.5 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
2.150 ± 0.020ZEKETschurl and Boesl, 2007Vertical Detachment Energy: 2.39±0.02 eV
2.1451 ± 0.0025ZEKEDistelrath and Boesl, 2000Reassignment of bands from Gilles, Polak, et al., 1992
2.150 ± 0.030LPESWang and Wang, 2000Vertical Detachment Energy: 2.38±0.05 eV
2.3780 ± 0.0060LPESGilles, Polak, et al., 1992 
2.37 ± 0.10IMRBBabcock, Pentecost, et al., 1989EA: Less than NO2, greater than HS., SF4
<2.16821ECDWecker, Christodoulides, et al., 1981 
1.76 ± 0.16EIAEBaluev, Nikitin, et al., 1980From FClO3

Ion clustering data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

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

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

ClO2- + Water = (ClO2- bullet Water)

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar63.6 ± 2.1kJ/molTherTschurl and Boesl, 2007gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B
Deltar66.9 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar37.7 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar54.8 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar25.5 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

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

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

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Deltar49.4 ± 6.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Deltar20.1 ± 1.3kJ/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. «DELTA»Saff approx. 24 cal/mol-K; B,M

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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:   D


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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, Gas phase ion energetics data, 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.

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]

Distelrath and Boesl, 2000
Distelrath, V.; Boesl, U., Mass selective gas phase study of ClO, OClO, ClOO and ClAr by anion-ZEKE-photoelectron spectroscopy, Faraday Disc. Chem. Soc., 2000, 115, 161-174, https://doi.org/10.1039/a909618c . [all data]

Gilles, Polak, et al., 1992
Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Photoelectron Spectroscopy of the Halogen Oxide Anions FO-, ClO-, BrO-, IO-, OClO-, and OIO-, J. Chem. Phys., 1992, 96, 11, 8012, https://doi.org/10.1063/1.462352 . [all data]

Wang and Wang, 2000
Wang, X.B.; Wang, L.S., The electronic structure and electron affinities of higher chlorine oxide radicals ClOx (x=2-4) from photoelectron spectroscopy of ClOx- anions, J. Chem. Phys., 2000, 113, 24, 10928-10933, https://doi.org/10.1063/1.1326067 . [all data]

Babcock, Pentecost, et al., 1989
Babcock, L.M.; Pentecost, T.; Koppenol, W.H., Electron Affinity of Chlorine Dioxide, J. Phys. Chem., 1989, 93, 25, 8126, https://doi.org/10.1021/j100362a002 . [all data]

Wecker, Christodoulides, et al., 1981
Wecker, D.; Christodoulides, A.A.; Schnidler, R.N., Studies by the Electron Cyclotron Resonance (ECR) Technique. XV. Interactions of Thermal-Energy Electrons with ClO2 and Cl2O, Int. J. Mass Spectrom. Ion Phys., 1981, 38, 2-3, 291, https://doi.org/10.1016/0020-7381(81)80084-8 . [all data]

Baluev, Nikitin, et al., 1980
Baluev, A.V.; Nikitin, I.M.; Fedorova, L.I.; Rossolovskii, V.Ya., Mass Spectrometric Study of Chlorine Pentafluoride Ionization by Electron Impact, Izv. Akad. Nauk SSR Ser. Khim. 487, 1980. [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

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Vibrational and/or electronic energy levels, References