Chlorine dioxide anion
- Formula: ClO2-
- Molecular weight: 67.452
- CAS Registry Number: 25052-55-5
- Information on this page:
- Other data available:
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Reaction thermochemistry data
Go To: Top, 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
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Individual Reactions
ClO2- + = (ClO2- •
)
By formula: ClO2- + H2O = (ClO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 63.6 ± 2.1 | kJ/mol | Ther | Tschurl and Boesl, 2007 | gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B |
| ΔrH° | 66.9 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 37.7 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
(ClO2- • 2) +
= (ClO2- • 3
)
By formula: (ClO2- • 2H2O) + H2O = (ClO2- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 49.4 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 20.1 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
(ClO2- • ) +
= (ClO2- • 2
)
By formula: (ClO2- • H2O) + H2O = (ClO2- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 54.8 ± 6.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 25.5 ± 1.3 | kJ/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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 ± 0.020 | ZEKE | Tschurl and Boesl, 2007 | Vertical Detachment Energy: 2.39±0.02 eV |
| 2.1451 ± 0.0025 | ZEKE | Distelrath and Boesl, 2000 | Reassignment of bands from Gilles, Polak, et al., 1992 |
| 2.150 ± 0.030 | LPES | Wang and Wang, 2000 | Vertical Detachment Energy: 2.38±0.05 eV |
| 2.3780 ± 0.0060 | LPES | Gilles, Polak, et al., 1992 | |
| 2.37 ± 0.10 | IMRB | Babcock, Pentecost, et al., 1989 | EA: Less than NO2, greater than HS., SF4 |
| <2.16821 | ECD | Wecker, Christodoulides, et al., 1981 | |
| 1.76 ± 0.16 | EIAE | Baluev, Nikitin, et al., 1980 | From FClO3 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 | 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
| o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
| x | Energy 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, 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, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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