Ozone
- Formula: O3
- Molecular weight: 47.9982
- IUPAC Standard InChIKey: CBENFWSGALASAD-UHFFFAOYSA-N
- CAS Registry Number: 10028-15-6
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics data
Go To: Top, 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 ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.