Monochlorine monoxide
- Formula: ClO
- Molecular weight: 51.452
- IUPAC Standard InChI: InChI=1S/ClO/c1-2
- IUPAC Standard InChIKey: NHYCGSASNAIGLD-UHFFFAOYSA-N
- CAS Registry Number: 14989-30-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 24.192 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1992 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 54.171 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1992 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 600. | 600. to 6000. |
|---|---|---|
| A | 4.473631 | 8.842371 |
| B | 14.12040 | 0.178913 |
| C | -17.64410 | -0.016138 |
| D | 8.260569 | 0.001251 |
| E | 0.018271 | -0.188245 |
| F | 22.43140 | 20.97330 |
| G | 56.18800 | 63.91850 |
| H | 24.19190 | 24.19190 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1992 | Data last reviewed in December, 1992 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry 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
B - John E. Bartmess
View reactions leading to ClO+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.89 ± 0.02 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.2775 ± 0.0013 | ZEKE | Distelrath and Boesl, 2000 | B |
| 2.2760 ± 0.0060 | LPES | Gilles, Polak, et al., 1992 | B |
| 2.35 ± 0.15 | EIAE | Baluev, Nikitin, et al., 1980 | From Cl2O; B |
| 2.17 ± 0.23 | LPD | Lee, Smith, et al., 1979 | B |
| 1.95 ± 0.25 | IMRB | Dotan, Albritton, et al., 1978 | B |
| >1.62 ± 0.22 | R-A | Vogt, Dreves, et al., 1977 | Cl- + O2 ->.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.885 ± 0.016 | PI | Thorn, Stief, et al., 1996 | LL |
| 11.08 ± 0.05 | EI | Alekseev, Zyubina, et al., 1989 | LL |
| 11.0 | EVAL | Huber and Herzberg, 1979 | LLK |
| 10.95 | PE | Bulgin, Dyke, et al., 1979 | LLK |
| 11.1 ± 0.1 | EI | Fisher, 1967 | RDSH |
| 11.01 ± 0.01 | PE | Bulgin, Dyke, et al., 1979 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
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]
Lee, Smith, et al., 1979
Lee, L.C.; Smith, G.P.; Moseley, J.T.; Cosby, P.C.; Guest, J.A.,
Photodissociation and photodetachment of Cl2-, ClO-, Cl3-, and BrCl2-,
J. Chem. Phys., 1979, 70, 3237. [all data]
Dotan, Albritton, et al., 1978
Dotan, I.; Albritton, D.L.; Fehsenfeld, F.C.; Streit, G.E.; Ferguson, E.E.,
Rate constants for the reactions of O-, O2-, NO2-, CO3-, and CO4- with HCl and ClO- with NO, NO2, SO2, and CO2 at 300K,
J. Chem. Phys., 1978, 68, 5414. [all data]
Vogt, Dreves, et al., 1977
Vogt, D.; Dreves, W.; Mischke, J.,
Energy dependence of differential cross sections in endoergic ion-molecule collision processes of negative ions,
Int. J. Mass Spectrom. Ion Phys., 1977, 24, 285. [all data]
Thorn, Stief, et al., 1996
Thorn, R.P., Jr.; Stief, L.J.; Kuo, S.-C.; Klemm, R.B.,
Ionization energy of Cl2O and ClO, appearance energy of ClO+(Cl2O), and heat of formation of Cl2O,
J. Phys. Chem., 1996, 100, 14178. [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]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Bulgin, Dyke, et al., 1979
Bulgin, D.K.; Dyke, J.M.; Jonathan, N.; Morris, A.,
Vacuum ultraviolet photoelectron spectroscopy of transient species,
J. Chem. Soc. Faraday Trans. 2, 1979, 75, 456. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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