Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Carbonyl sulfide

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:
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 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)150.2kcal/molN/AHunter and Lias, 1998at S; HL
Quantity Value Units Method Reference Comment
Gas basicity144.0kcal/molN/AHunter and Lias, 1998at S; HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion224.kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K224.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
0.46 ± 0.20NBIECompton, Reinhardt, et al., 1975See 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
>0.39995ECDChen and Wentworth, 1983B

Ionization energy determinations

IE (eV) Method Reference Comment
11.185 ± 0.002PEWang, Reutt, et al., 1988LL
11. ± 1.EICarnovale, Hitchcock, et al., 1982LBLHLM
11.1736 ± 0.0015PIOno, Osuch, et al., 1981LLK
11.177 ± 0.002PEPotts and Fattahallah, 1980LLK
11.19 ± 0.05EIHubin-Franskin, Marmet, et al., 1980LLK
11.174 ± 0.003PEDelwiche, Hubin-Franskin, et al., 1980LLK
11.190PIFrey, Gotchev, et al., 1978LLK
11.22PENatalis, 1973LLK
11.18 ± 0.01PEFrost, Lee, et al., 1973LLK
11.3EIFerreira and Costa, 1972LLK
11.189 ± 0.005PEBrundle and Turner, 1969RDSH
11.233 ± 0.005PEBrundle and Turner, 1969RDSH
11.18 ± 0.01PIMatsunaga and Watanabe, 1967RDSH
11.18 ± 0.01SMatsunaga and Watanabe, 1967RDSH
11.22 ± 0.01PIMatsunaga and Watanabe, 1967RDSH
11.23 ± 0.01SMatsunaga and Watanabe, 1967RDSH
11.18 ± 0.01PIDibeler and Walker, 1967RDSH
11.22PIDibeler and Walker, 1967RDSH
11.19PEPotts and Williams, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22. ± 1.?EICarnovale, Hitchcock, et al., 1982LBLHLM
CO+18. ± 1.SEICarnovale, Hitchcock, et al., 1982LBLHLM
CO+15.6S(-)?EIFerreira and Costa, 1972LLK
CS+20. ± 1.OEICarnovale, Hitchcock, et al., 1982LBLHLM
CS+18.7 ± 0.5OEIHubin-Franskin, Huard, et al., 1978LLK
CS+16.7O(-)?EIFerreira and Costa, 1972LLK
O+20. ± 1.CSEICarnovale, Hitchcock, et al., 1982LBLHLM
O+19.45 ± 0.08CS(-)EIHubin-Franskin, Huard, et al., 1978LLK
OS+19.8CEIFerreira and Costa, 1972LLK
S+14. ± 1.COEICarnovale, Hitchcock, et al., 1982LBLHLM
S+13.52 ± 0.05COEIHubin-Franskin, Huard, et al., 1978LLK
S+13.7COEIFerreira and Costa, 1972LLK
S+13.65 ± 0.03COPIDibeler and Walker, 1967RDSH

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(2«pi»), A(2«pi»), B(2«SIGMA»+) and C(2«SIGMA»+) 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