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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:
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 C3H6S+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.61eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)199.5kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity192.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.61PIPECOButler and Baer, 1983LBLHLM
8.5PEAue and Bowers, 1979LLK
8.65 ± 0.01PITrofimov, Mel'der, et al., 1975LLK
8.65SWhiteside and Warsop, 1969RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+10.5 ± 0.1C2H5PIButler and Baer, 1982T = 0K; LBLHLM
CHS+10.4 ± 0.1C2H5PIButler and Baer, 1982T = 298K; LBLHLM
CHS+13.9 ± 0.2?EIGallegos and Kiser, 1962RDSH
CH2S+9.9C2H4PIPECOButler and Baer, 1983LBLHLM
CH2S+10.4 ± 0.1?EIJones and Lossing, 1967RDSH
CH3S+12.3 ± 0.15?EIGallegos and Kiser, 1962RDSH
C2H2+17.1 ± 0.4?EIGallegos and Kiser, 1962RDSH
C2H3+16.7 ± 0.2?EIGallegos and Kiser, 1962RDSH
C2H3S+10.0CH3PIPECOButler and Baer, 1983LBLHLM
C2H4+13.6 ± 0.2?EIGallegos and Kiser, 1962RDSH
C3H3+15.3 ± 0.4?EIGallegos and Kiser, 1962RDSH
C3H5+12.2 ± 0.2SH?EIGallegos and Kiser, 1962RDSH
C3H5S+10.8HPIPECOButler and Baer, 1983LBLHLM


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]

Butler and Baer, 1983
Butler, J.J.; Baer, T., A photoionization study of organosulfur ring compounds: Thiirane, thietane and tetrahydrothiophene, Org. Mass Spectrom., 1983, 18, 248. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Trofimov, Mel'der, et al., 1975
Trofimov, B.A.; Mel'der, U.K.; Pikver, R.I.; Vyalykh, E.P., Ionization potentials of unsaturated and sulfides the participation of neighboring multiple bonds of heteroatoms in the stabilization of the radical cation, Teor. Eksp. Khim., 1975, 11, 129. [all data]

Whiteside and Warsop, 1969
Whiteside, J.A.B.; Warsop, P.A., The electronic spectrum of trimethylene sulfide, J. Mol. Spectry., 1969, 29, 1. [all data]

Butler and Baer, 1982
Butler, J.J.; Baer, T., Photoionization study of the heat of formation of HCS+, J. Am. Chem. Soc., 1982, 104, 5016. [all data]

Gallegos and Kiser, 1962
Gallegos, E.J.; Kiser, R.W., Electron impact spectroscopy of the four- and five-membered, saturated heterocyclic compounds containing nitrogen, oxygen and sulfur, J. Phys. Chem., 1962, 66, 136. [all data]

Jones and Lossing, 1967
Jones, A.; Lossing, F.P., The ionization potential and heat of formation of thioformaldehyde, J. Phys. Chem., 1967, 71, 4111. [all data]


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