Carbonyl sulfide
- Formula: COS
- Molecular weight: 60.075
- IUPAC Standard InChI: InChI=1S/COS/c2-1-3
- IUPAC Standard InChIKey: JJWKPURADFRFRB-UHFFFAOYSA-N
- CAS Registry Number: 463-58-1
- 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: Carbon oxide sulfide; Carbon oxysulfide; COS; Oxycarbon sulfide; UN 2204; Carbon oxide sulphide; carbonyl sulphide
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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:
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
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 11.18 ± 0.01 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 628.5 | kJ/mol | N/A | Hunter and Lias, 1998 | at S; HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 602.6 | kJ/mol | N/A | Hunter and Lias, 1998 | at S; HL |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°(+) ion | 937. | kJ/mol | N/A | N/A | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH(+) ion,0K | 937. | kJ/mol | N/A | N/A |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.46 ± 0.20 | NBIE | Compton, Reinhardt, et al., 1975 | See Surber, Ananthavel, et al., 2002, for a claim that EA<0; G3MP2B3 calculations indicate an EA of ca. -0.05 eV, unbound. At the bent geometry of the anion, G3MP2B3 EDE(vert)=0.35 eV bound. The experiment appears to be the vertical EA.; B |
| >0.39995 | ECD | Chen and Wentworth, 1983 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.185 ± 0.002 | PE | Wang, Reutt, et al., 1988 | LL |
| 11. ± 1. | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
| 11.1736 ± 0.0015 | PI | Ono, Osuch, et al., 1981 | LLK |
| 11.177 ± 0.002 | PE | Potts and Fattahallah, 1980 | LLK |
| 11.19 ± 0.05 | EI | Hubin-Franskin, Marmet, et al., 1980 | LLK |
| 11.174 ± 0.003 | PE | Delwiche, Hubin-Franskin, et al., 1980 | LLK |
| 11.190 | PI | Frey, Gotchev, et al., 1978 | LLK |
| 11.22 | PE | Natalis, 1973 | LLK |
| 11.18 ± 0.01 | PE | Frost, Lee, et al., 1973 | LLK |
| 11.3 | EI | Ferreira and Costa, 1972 | LLK |
| 11.189 ± 0.005 | PE | Brundle and Turner, 1969 | RDSH |
| 11.233 ± 0.005 | PE | Brundle and Turner, 1969 | RDSH |
| 11.18 ± 0.01 | PI | Matsunaga and Watanabe, 1967 | RDSH |
| 11.18 ± 0.01 | S | Matsunaga and Watanabe, 1967 | RDSH |
| 11.22 ± 0.01 | PI | Matsunaga and Watanabe, 1967 | RDSH |
| 11.23 ± 0.01 | S | Matsunaga and Watanabe, 1967 | RDSH |
| 11.18 ± 0.01 | PI | Dibeler and Walker, 1967 | RDSH |
| 11.22 | PI | Dibeler and Walker, 1967 | RDSH |
| 11.19 | PE | Potts and Williams, 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C+ | 22. ± 1. | ? | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
| CO+ | 18. ± 1. | S | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
| CO+ | 15.6 | S(-)? | EI | Ferreira and Costa, 1972 | LLK |
| CS+ | 20. ± 1. | O | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
| CS+ | 18.7 ± 0.5 | O | EI | Hubin-Franskin, Huard, et al., 1978 | LLK |
| CS+ | 16.7 | O(-)? | EI | Ferreira and Costa, 1972 | LLK |
| O+ | 20. ± 1. | CS | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
| O+ | 19.45 ± 0.08 | CS(-) | EI | Hubin-Franskin, Huard, et al., 1978 | LLK |
| OS+ | 19.8 | C | EI | Ferreira and Costa, 1972 | LLK |
| S+ | 14. ± 1. | CO | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
| S+ | 13.52 ± 0.05 | CO | EI | Hubin-Franskin, Huard, et al., 1978 | LLK |
| S+ | 13.7 | CO | EI | Ferreira and Costa, 1972 | LLK |
| S+ | 13.65 ± 0.03 | CO | PI | Dibeler and Walker, 1967 | RDSH |
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]
Compton, Reinhardt, et al., 1975
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D.,
Collisional ionization of Na, K, and Cs by CO2, COS, and CS2: Molecular electron affinities,
J. Chem. Phys., 1975, 63, 3821. [all data]
Surber, Ananthavel, et al., 2002
Surber, E.; Ananthavel, S.P.; Sanov, A.,
Nonexistent electron affinity of OCS and the stabilization of carbonyl sulfide anions by gas phase hydration,
J. Chem. Phys., 2002, 116, 5, 1920-1929, https://doi.org/10.1063/1.1433001
. [all data]
Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E.,
Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state,
J. Phys. Chem., 1983, 87, 45. [all data]
Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A.,
High resolution UV photoelectron spectroscopy of CO2, COS, and CS2 using supersonic molecular beams,
J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]
Carnovale, Hitchcock, et al., 1982
Carnovale, F.; Hitchcock, A.P.; Cook, J.P.D.; Brion, C.E.,
Absolute dipole oscillator strengths for molecular and dissociative photoionization of Cos(10 - 50eV) and CS2(10 - 40eV),
Chem. Phys., 1982, 66, 249. [all data]
Ono, Osuch, et al., 1981
Ono, Y.; Osuch, E.A.; Ng, C.Y.,
Molecular beam photoionization study of OCS, (OCS)2, (OCS)3, and OCS.CS2,
J. Chem. Phys., 1981, 74, 1645. [all data]
Potts and Fattahallah, 1980
Potts, A.W.; Fattahallah, G.H.,
High-resolution ultraviolet photoelectron spectroscopy of CO2, COS and CS2,
J. Phys. B:, 1980, 13, 2545. [all data]
Hubin-Franskin, Marmet, et al., 1980
Hubin-Franskin, M.-J.; Marmet, P.; Huard, D.,
Excitation and ionization of OCS and CS2 by electron impact,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 311. [all data]
Delwiche, Hubin-Franskin, et al., 1980
Delwiche, J.; Hubin-Franskin, M.-J.; Caprace, G.; Natalis, P.; Roy, D.,
On the He(I) and Ne(I) photoelectron spectra of OCS,
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 205. [all data]
Frey, Gotchev, et al., 1978
Frey, R.; Gotchev, B.; Peatman, W.B.; Pollak, H.; Schlag, E.W.,
Photoionization resonance study of the X(2π), A(2π), B(2Σ+) and C(2Σ+) states of CS2+ and COS+,
Int. J. Mass Spectrom. Ion Phys., 1978, 26, 137. [all data]
Natalis, 1973
Natalis, P.,
Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques,
Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]
Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
Photoelectron spectra of OCSe, SCSe, and CSe2,
J. Chem. Phys., 1973, 59, 5484. [all data]
Ferreira and Costa, 1972
Ferreira, M.A.A.; Costa, M.L.,
Impacto electronico no oxi-sulfureto de carbono: potenciais de aparecimento de io~es positivos, calores de formaca~o e energias de dissociaca~o,
Rev. Port. Quim., 1972, 14, 21. [all data]
Brundle and Turner, 1969
Brundle, C.R.; Turner, D.W.,
Studies on the photoionisation of the linear triatomic molecules: N2O, COS, CS2 and CO2 using high-resolution photoelectron spectroscopy,
Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 195. [all data]
Matsunaga and Watanabe, 1967
Matsunaga, F.M.; Watanabe, K.,
Ionization potential and absorption coefficient of COS,
J. Chem. Phys., 1967, 46, 4457. [all data]
Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A.,
Mass spectrometric study of the photoionization of small polyatomic molecules,
Advan. Mass Spectrom., 1967, 4, 767. [all data]
Potts and Williams, 1974
Potts, A.W.; Williams, T.A.,
The observation of "forbidden" transitions in He II photoelectron spectra,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 3. [all data]
Hubin-Franskin, Huard, et al., 1978
Hubin-Franskin, M.J.; Huard, D.; Marmet, P.,
On the heat of formation of CS from CS2 and OCS,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 263. [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 ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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