Thiirane
- Formula: C2H4S
- Molecular weight: 60.118
- IUPAC Standard InChIKey: VOVUARRWDCVURC-UHFFFAOYSA-N
- CAS Registry Number: 420-12-2
- 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: Ethylene sulfide; Ethylene episulfide; Thiacyclopropane; Thiirene, 2,3-dihydro-; 2,3-Dihydrothiirene; Ethylene episulphide; Ethylene sulphide; NSC 89690; epithioethane
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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
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
View reactions leading to C2H4S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 193.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 185.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.05 | PIPECO | Butler and Baer, 1983 | LBLHLM |
9.04 ± 0.01 | PI | Butler and Baer, 1982 | LBLHLM |
8.9 ± 0.1 | PE | Aue, Webb, et al., 1980 | LLK |
8.9 | PE | Aue and Bowers, 1979 | LLK |
9.00 | PE | Schweig and Thiel, 1973 | LLK |
9.051 ± 0.006 | S | Basco and Morse, 1973 | LLK |
8.87 ± 0.15 | EI | Gallegos and Kiser, 1961 | RDSH |
9.0 | EI | Vorob'ev, Furlei, et al., 1989 | Vertical value; LL |
9.05 | PE | Frost, Herring, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHS+ | 11.07 ± 0.04 | CH3 | PI | Butler and Baer, 1982 | T = 298K; LBLHLM |
CHS+ | 11.13 ± 0.04 | CH3 | PI | Butler and Baer, 1982 | T = 0K; LBLHLM |
CHS+ | 12.3 ± 0.2 | CH3 | EI | Gallegos and Kiser, 1961 | RDSH |
CH2+ | 20.4 ± 0.5 | ? | EI | Gallegos and Kiser, 1961 | RDSH |
CH2S+ | 12.7 ± 0.2 | ? | EI | Gallegos and Kiser, 1961 | RDSH |
C2H2+ | 17.9 ± 0.5 | ? | EI | Gallegos and Kiser, 1961 | RDSH |
C2H2S+ | 15.0 ± 0.2 | ? | EI | Gallegos and Kiser, 1961 | RDSH |
C2H3+ | 14.0 | SH | EI | Haney and Franklin, 1968 | RDSH |
C2H3S+ | 10.7 | H | PIPECO | Butler and Baer, 1983 | LBLHLM |
C2H3S+ | 11.4 ± 0.2 | H | EI | Gallegos and Kiser, 1961 | RDSH |
H2S+ | 13.4 | C2H2 | EI | Haney and Franklin, 1968 | RDSH |
H2S+ | 13.4 ± 0.1 | C2H2 | EI | Gallegos and Kiser, 1961 | RDSH |
S+ | 13.1 ± 0.2 | C2H4 | EI | Gallegos and Kiser, 1961 | 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]
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]
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]
Aue, Webb, et al., 1980
Aue, D.H.; Webb, H.M.; Davidson, W.R.; Vidal, M.; Bowers, M.T.; Goldwhite, H.; Vertal, L.E.; Douglas, J.E.; Kollman, P.A.; Kenyon, G.L.,
Proton affinities photoelectron spectra of three-membered-ring J. Heterocycl. Chem.,
J. Am. Chem. Soc., 1980, 102, 5151. [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]
Schweig and Thiel, 1973
Schweig, A.; Thiel, W.,
Photoionization cross sections: He I and He II photoelectron spectra of saturated three-membered rings,
Chem. Phys. Lett., 1973, 21, 541. [all data]
Basco and Morse, 1973
Basco, N.; Morse, R.D.,
Analysis of the Rydberg transitions in ethylene sulphide,
Chem. Phys. Lett., 1973, 20, 404. [all data]
Gallegos and Kiser, 1961
Gallegos, E.; Kiser, R.W.,
Electron impact spectroscopy of ethylene sulfide and ethylenimine,
J. Phys. Chem., 1961, 65, 1177. [all data]
Vorob'ev, Furlei, et al., 1989
Vorob'ev, A.S.; Furlei, I.I.; Sultanov, A.S.; Khvostenko, V.I.; Leplyanin, G.V.; Derzhinskii, A.R.; Tolstikov, G.A.,
Mass spectrometry of reasonance capture of electrons and photoelectron spectroscopy of molecules of ethylene oxide, ethylene sulfide, and their derivatives,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1989, 1388. [all data]
Frost, Herring, et al., 1973
Frost, D.C.; Herring, F.G.; Katrib, A.; McDowell, C.A.,
The photoelectron spectrum of ethylene sulphide,
Chem. Phys. Lett., 1973, 20, 401. [all data]
Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L.,
Correlation of excess energies of electron-impact dissociations with the translational energies of the products,
J.Chem. Phys., 1968, 48, 4093. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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