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Carbonyl sulfide

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Gas phase ion energetics data

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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)628.5kJ/molN/AHunter and Lias, 1998at S; HL
Quantity Value Units Method Reference Comment
Gas basicity602.6kJ/molN/AHunter and Lias, 1998at S; HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion937.kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K937.kJ/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


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]


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