Ozone
- Formula: O3
- Molecular weight: 47.9982
- IUPAC Standard InChI: InChI=1S/O3/c1-3-2
- IUPAC Standard InChIKey: CBENFWSGALASAD-UHFFFAOYSA-N
- CAS Registry Number: 10028-15-6
- Chemical structure:
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Gas phase thermochemistry data
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 34.099 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1961 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.103 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1961 |
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 1200. | 1200. to 6000. |
|---|---|---|
| A | 5.177240 | 13.81790 |
| B | 19.08700 | 0.174699 |
| C | -15.78060 | -0.009382 |
| D | 4.680600 | 0.000624 |
| E | -0.018942 | -0.850948 |
| F | 31.77359 | 27.67010 |
| G | 58.23150 | 70.40170 |
| H | 34.09990 | 34.09990 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1961 | Data last reviewed in June, 1961 |
Reaction thermochemistry data
Go To: Top, Gas phase 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: 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
+
= (
•
)
By formula: O2+ + O3 = (O2+ • O3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.5 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.5 | cal/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.4 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970 |
+
= (
•
)
By formula: NO- + O3 = (NO- • O3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.8 | kcal/mol | FA | Fehsenfeld, 1974 | gas phase; switching reaction(NO+)CO2, ΔrH< |
+
= (
•
)
By formula: Na+ + O3 = (Na+ • O3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 12.5 | kcal/mol | FA | Rowe, Viggiano, et al., 1982 | gas phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 12.53 ± 0.08 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 149.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 142.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.1030 ± 0.0040 | LPES | Arnold, Xu, et al., 1994 | B |
| 2.1028 ± 0.0026 | LPES | Novich, Engelking, et al., 1979 | B |
| 2.14 ± 0.15 | NBIE | Rothe, Tang, et al., 1975 | B |
| 1.91 ± 0.14 | PD | Wong, Vorburger, et al., 1971 | B |
| >1.82338 | IMRB | Dotan, Davidson, et al., 1977 | B |
| >1.96002 | Endo | Berkowitz, Chupka, et al., 1971 | I- + O3 ->.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 12.43 | PE | Katsumata, Shiromaru, et al., 1984 | LBLHLM |
| 12.519 ± 0.004 | PI | Weiss, Berkowitz, et al., 1977 | LLK |
| 12.5 ± 0.1 | PE | Frost, Lee, et al., 1974 | LLK |
| 12.44 ± 0.01 | PE | Dyke, Golob, et al., 1974 | LLK |
| 12.56 | PE | Brundle, 1974 | LLK |
| 12.67 | PI | Cook, 1968 | RDSH |
| 12.3 ± 0.1 | PE | Radwan and Turner, 1966 | RDSH |
| 12.89 ± 0.10 | EI | Curran, 1961 | RDSH |
| 12.80 ± 0.05 | EI | Herron and Schiff, 1956 | RDSH |
| 12.73 | PE | Katsumata, Shiromaru, et al., 1984 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| O+ | 15.2 ± 0.1 | O2 | PI | Weiss, Berkowitz, et al., 1977 | LLK |
| O2+ | 13.125 ± 0.004 | O | PI | Weiss, Berkowitz, et al., 1977 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Reaction 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]
Dotan, Davidson, et al., 1978
Dotan, I.; Davidson, J.A.; Fehsenfeld, F.C.; Albritton, D.L.,
Reactions of O2+.O2 with CO2, O3 and CH4 and O2+.O3 with H2O and CH4 and their Role in Stratospheric Ion Chemistry,
J. Geophys. Res., 1978, 83, C8, 4036, https://doi.org/10.1029/JC083iC08p04036
. [all data]
Conway and Janik, 1970
Conway, D.C.; Janik, G.S.,
Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+,
J. Chem. Phys., 1970, 53, 5, 1859, https://doi.org/10.1063/1.1674262
. [all data]
Fehsenfeld, 1974
Fehsenfeld, F.C.,
Clustering of O3 to O2+ and NO+,
J. Chem. Phys., 1974, 61, 4, 1588, https://doi.org/10.1063/1.1682129
. [all data]
Rowe, Viggiano, et al., 1982
Rowe, B.R.; Viggiano, A.A.; Fehsenfeld, F.C.; Fahey, D.W.; Ferguson, E.E.,
Reactions between Neutrals Clustered on Ions,
J. Chem. Phys., 1982, 76, 1, 742, https://doi.org/10.1063/1.442684
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Arnold, Xu, et al., 1994
Arnold, D.W.; Xu, C.S.; Kim, E.H.; Neumark, D.M.,
Study of low-lying electronic states of ozone by anion photoelectron spectroscopy of O-3(-),
J. Chem. Phys., 1994, 101, 2, 912, https://doi.org/10.1063/1.467745
. [all data]
Novich, Engelking, et al., 1979
Novich, S.E.; Engelking, P.C.; Jones, P.L.; Futrell, J.H.; Lineberger, W.C.,
Laser photoelectron, photodetachment, and photodestruction spectra of O3-,
J. Chem. Phys., 1979, 70, 2652. [all data]
Rothe, Tang, et al., 1975
Rothe, E.W.; Tang, S.Y.; Reck, G.P.,
Measurement of electron affinities of O3, SO2, and SO3 by collisional ionization,
J. Chem. Phys., 1975, 62, 3829. [all data]
Wong, Vorburger, et al., 1971
Wong, S.F.; Vorburger, T.V.; Woo, S.V.,
Photodetachment of O3-,
Bull. Am. Phys. Soc., 1971, 16, 213. [all data]
Dotan, Davidson, et al., 1977
Dotan, I.; Davidson, J.A.; Streit, G.E.; Albritton, D.L.; Fehsenfeld, F.C.,
A study of the reaction O3- + CO2 = CO3- + O2 and its implication on the thermochemistry of CO3 and O3 and their negative ions,
J. Chem. Phys., 1977, 67, 2874. [all data]
Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D.,
Electron Affinities of O2, O3, NO, NO2, and NO3 by Endothermic Charge Transfer,
J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488
. [all data]
Katsumata, Shiromaru, et al., 1984
Katsumata, S.; Shiromaru, H.; Kimura, T.,
Photoelectron angular distribution and assignment of photoelectron spectrum of ozone,
Bull. Chem. Soc. Jpn., 1984, 57, 1784. [all data]
Weiss, Berkowitz, et al., 1977
Weiss, M.J.; Berkowitz, J.; Appelman, E.H.,
Photoionization of ozone: Formation of O4+ and O5+,
J. Chem. Phys., 1977, 66, 2049. [all data]
Frost, Lee, et al., 1974
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
High resolution photoelectron spectroscopy of ozone,
Chem. Phys. Lett., 1974, 24, 149. [all data]
Dyke, Golob, et al., 1974
Dyke, J.M.; Golob, L.; Jonathan, N.; Morris, A.; Okuda, M.,
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 4. Difluoromethylene and ozone,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1828. [all data]
Brundle, 1974
Brundle, C.R.,
He (I) and He (II) photoelectron spectra of ozone,
Chem. Phys. Lett., 1974, 26, 25. [all data]
Cook, 1968
Cook, G.R.,
Photoionization and absorption cross sections of ozone,
Trans. Am. Geophys. Union, 1968, 49, 736. [all data]
Radwan and Turner, 1966
Radwan, T.N.; Turner, D.W.,
Molecular photoelectron spectroscopy. Part V. Ozone,
J. Chem. Soc. A, 1966, 85. [all data]
Curran, 1961
Curran, R.K.,
Negative ion formation in ozone,
J. Chem. Phys., 1961, 35, 1849. [all data]
Herron and Schiff, 1956
Herron, J.T.; Schiff, H.I.,
Mass spectrometry of ozone,
J. Chem. Phys., 1956, 24, 1266. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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