Chlorine dioxide
- Formula: ClO2
- Molecular weight: 67.452
- IUPAC Standard InChI: InChI=1S/ClO2/c2-1-3
- IUPAC Standard InChIKey: OSVXSBDYLRYLIG-UHFFFAOYSA-N
- CAS Registry Number: 10049-04-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Chlorine oxide (ClO2); Chlorine(IV) oxide; Chloryl radical; Doxcide 50; Chlorine oxide; ClO2; Alcide; Anthium dioxcide; Chlorine peroxide; Chloroperoxyl
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Phase change data
Go To: Top, 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.
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 214. to 284.3 | 3.33293 | 644.581 | -90.46 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to ClO2+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.33 ± 0.02 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.33 ± 0.02 | PI | Flesch, Ruhl, et al., 1993 | LL |
| 10.345 ± 0.005 | PE | Flesch, Ruhl, et al., 1993 | LL |
| 10.52 ± 0.06 | EI | Alekseev, Zyubina, et al., 1989 | LL |
| 10.77 ± 0.10 | EI | Baluev, Nikitina, et al., 1980 | LLK |
| 10.36 ± 0.02 | PE | Cornford, Frost, et al., 1971 | LLK |
| 10.7 ± 0.1 | EI | Fisher, 1967 | RDSH |
| 10.5 ± 0.1 | PE | Cornford, Frost, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| ClO+ | 13.45 ± 0.04 | O | PI | Flesch, Ruhl, et al., 1993 | LL |
| ClO+ | 13.55 ± 0.08 | O | EI | Baluev, Nikitina, et al., 1980 | LLK |
| ClO+ | 13.5 ± 0.1 | O | EI | Fisher, 1967 | RDSH |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [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]
Alekseev, Zyubina, et al., 1989
Alekseev, V.I.; Zyubina, T.S.; Zyubin, A.S.; Baluev, A.V.,
Mass-spectrometric and quantum-chemical investigation of thermochemical characteristics of chlorine oxides,
J. Am. Chem. Soc., 1989, 2092. [all data]
Baluev, Nikitina, et al., 1980
Baluev, A.V.; Nikitina, Z.K.; Fedorova, L.I.; Rosolovskii, V.Ya.,
Mass spectrometric investigation of electron-impact induced ionization of chlorine dioxide and chloryl fluoride molecules,
Izv. Akad. Nauk SSSR, Ser. Khim., 1980, 1963. [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]
Fisher, 1967
Fisher, I.P.,
Mass spectrometry study of intermediates in thermal decomposition of perchloric acid and chlorine dioxide,
J. Chem. Soc. Faraday Trans., 1967, 63, 684. [all data]
Cornford, Frost, et al., 1972
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Photoelectron spectra of some free radicals,
Faraday Discuss. Chem. Soc., 1972, 54, 56. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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