Oxygen, atomic
- Formula: O
- Molecular weight: 15.9994
- IUPAC Standard InChI: InChI=1S/O
- IUPAC Standard InChIKey: QVGXLLKOCUKJST-UHFFFAOYSA-N
- CAS Registry Number: 17778-80-2
- Chemical structure:
This structure is also available as a 2d Mol file - 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:
- NIST Atomic Spectra Database - Lines Holdings (on physics web site)
- NIST Atomic Spectra Database - Levels Holdings (on physics web site)
- NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
- Electron-Impact Ionization Cross Sections (on physics web site)
- Gas Phase Kinetics Database
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering 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 | 59.555 ± 0.024 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 38.4940 ± 0.0007 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Ion clustering 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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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
View reactions leading to O+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 13.61806 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 116.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 109.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.439157 ± 0.000004 | LPD | Joiner, Mohr, et al., 2011 | Given: 11607.75(28) cm-1. In 1.0 T field, 0.5 kcal/mol lower than "best" EA; B |
| 1.4610 ± 0.0010 | LPES | Cavanagh, Gibson, et al., 2007 | B |
| 1.460982 ± 0.000044 | LPD | Blondel, Chaibi, et al., 2005 | (16)O: 1.4611135(12) eV: revised analysis of Blondel, Delsart, et al., 2001; B |
| 1.461112 ± 0.000044 | LPD | Neumark, Lykke, et al., 1985 | Given: 1.461122(3) eV; revised to 1.4611107(17) eV, 95BLO, based on missing term+86CODATA; B |
| 1.461112 ± 0.000044 | N/A | Valli, Blondel, et al., 1999 | 16O: 11784.682(20) cm-1; 18O: 11784.612(29) cm-1 or 8.7μeV lower.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 13.61806 | EVAL | Lide, 1992 | LL |
| 13.618 | S | Kelly, 1987 | LBLHLM |
| 13.0 ± 0.5 | EI | Banon, Chatillon, et al., 1982 | LBLHLM |
| 13.618 | PI | Radler and Berkowitz, 1977 | LLK |
| 14. ± 1. | EI | Paule, 1976 | LLK |
| 14.0 ± 0.5 | EI | Hildenbrand, 1975 | LLK |
| 13.618 | S | Cermak, 1975 | LLK |
| 13.61806 | S | Moore, 1970 | RDSH |
| 13.62 | PE | Jonathan, Morris, et al., 1970 | RDSH |
Anion protonation reactions
O- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 382.600 ± 0.010 | kcal/mol | D-EA | Neumark, Lykke, et al., 1985 | gas phase; Given: 1.461122(3) eV; revised to 1.4611107(17) eV, 95BLO, based on missing term+86CODATA; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 376.73 ± 0.15 | kcal/mol | H-TS | Neumark, Lykke, et al., 1985 | gas phase; Given: 1.461122(3) eV; revised to 1.4611107(17) eV, 95BLO, based on missing term+86CODATA; B |
Ion clustering 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
( • 4294967295
) +
=
By formula: (HO- • 4294967295O) + O = HO-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 127.44 | kcal/mol | N/A | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014 |
| ΔrH° | 127.60 ± 0.20 | kcal/mol | Ther | Schulz, Mead, et al., 1982 | gas phase; Given: 1.82767±0.00021 eV |
( • 4294967295
) +
=
By formula: (O2- • 4294967295O) + O = O2-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 95.78 | kcal/mol | N/A | Ervin, Anusiewicz, et al., 2003 | gas phase |
| ΔrH° | 95.8 ± 1.0 | kcal/mol | Ther | Travers, Cowles, et al., 1989 | gas phase |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [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]
Joiner, Mohr, et al., 2011
Joiner, A.; Mohr, R.H.; Yukich, J.N.,
High-resolution photodetachment spectroscopy from the lowest threshold of O-,
Phys. Rev. A, 2011, 83, 3, 035401, https://doi.org/10.1103/PhysRevA.83.035401
. [all data]
Cavanagh, Gibson, et al., 2007
Cavanagh, S.J.; Gibson, S.T.; Gale, M.N.; Dedman, C.J.; Roberts, E.H.; Lewis, B.R.,
High-resolution velocity-map-imaging photoelectron spectroscopy of the O- photodetachment fine-structure transitions,
Phys. Rev. A, 2007, 76, 5, 052708, https://doi.org/10.1103/PhysRevA.76.052708
. [all data]
Blondel, Chaibi, et al., 2005
Blondel, C.; Chaibi, W.; Delsart, C.; Drag, C.; Goldfarb, F.; Kroger, S.,
The electron affinities of O, Si, and S revisited with the photodetachment microscope,
Eur. Phys. J. D, 2005, 33, 3, 335-342, https://doi.org/10.1140/epjd/e2005-00069-9
. [all data]
Blondel, Delsart, et al., 2001
Blondel, C.; Delsart, C.; Goldfarb, F.,
Electron spectrometry at the mu eV level and the electron affinities of Si and F,
J. Phys. B: Atom. Mol. Opt. Phys., 2001, 34, 9, L281-L288, https://doi.org/10.1088/0953-4075/34/9/101
. [all data]
Neumark, Lykke, et al., 1985
Neumark, D.M.; Lykke, K.R.; Andersen, T.; Lineberger, W.C.,
Laser photodetachment measurement of the electron affinity of atomic oxygen,
Phys. Rev. A:, 1985, 32, 1890. [all data]
Valli, Blondel, et al., 1999
Valli, C.; Blondel, C.; Delsart, C.,
Measuring electron affinities with the photodetachment microscope,
Phys. Rev. A, 1999, 59, 5, 3809-3815, https://doi.org/10.1103/PhysRevA.59.3809
. [all data]
Lide, 1992
Lide, D.R. (Editor),
Ionization potentials of atoms and atomic ions
in Handbook of Chem. and Phys., 1992, 10-211. [all data]
Kelly, 1987
Kelly, R.L.,
Atomic and ionic spectrum lines of hydrogen through kryton,
J. Phys. Chem. Ref. Data, 1987, 16. [all data]
Banon, Chatillon, et al., 1982
Banon, S.; Chatillon, C.; Allibert, M.,
High temperature mass spectrometric study of ionization and fragmentation of TiO and TiO2 gas under electron impact,
High Temp. Sci., 1982, 15, 17. [all data]
Radler and Berkowitz, 1977
Radler, K.; Berkowitz, J.,
Photoionization mass spectrometric study of CSe2,
J. Chem. Phys., 1977, 66, 2176. [all data]
Paule, 1976
Paule, R.C.,
Mass spectrometric studies of Al2O3 vaporization processes,
High Temp. Sci., 1976, 8, 257. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Vertical ionization potential of the CF2 radical,
Chem. Phys. Lett., 1975, 32, 30. [all data]
Cermak, 1975
Cermak, V.,
Electron spectroscopy of autoionizing states of oxygen, chlorine and bromine atoms,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 135. [all data]
Moore, 1970
Moore, C.E.,
Ionization potentials and ionization limits derived from the analyses of optical spectra,
Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]
Jonathan, Morris, et al., 1970
Jonathan, N.; Morris, A.; Smith, D.J.; Ross, K.J.,
Photoelectron spectra of ground state atomic hydrogen, nitrogen and oxygen,
Chem. Phys. Lett., 1970, 7, 497. [all data]
Smith, Kim, et al., 1997
Smith, J.R.; Kim, J.B.; Lineberger, W.C.,
High-resolution Threshold Photodetachment Spectroscopy of OH-,
Phys. Rev. A, 1997, 55, 3, 2036, https://doi.org/10.1103/PhysRevA.55.2036
. [all data]
Schulz, Mead, et al., 1982
Schulz, P.A.; Mead, R.D.; Jones, P.L.; Lineberger, W.C.,
OH- and OD- threshold photodetachment,
J. Chem. Phys., 1982, 77, 1153. [all data]
Ervin, Anusiewicz, et al., 2003
Ervin, K.M.; Anusiewicz, W.; Skurski, P.; Simons, J.; Lineberger, W.C.,
The only stable state of O-2(-) is the X (2)Pi(g) ground state and it (still!) has an adiabatic electron detachment energy of,
J. Phys. Chem. A, 2003, 107, 41, 8521-8529, https://doi.org/10.1021/jp0357323
. [all data]
Travers, Cowles, et al., 1989
Travers, M.J.; Cowles, D.C.; Ellison, G.B.,
Reinvestigation of the Electron Affinities of O2 and NO,
Chem. Phys. Lett., 1989, 164, 5, 449, https://doi.org/10.1016/0009-2614(89)85237-6
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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 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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