Thioketene
- Formula: C2H2S
- Molecular weight: 58.102
- IUPAC Standard InChI: InChI=1S/C2H2S/c1-2-3/h1H2
- IUPAC Standard InChIKey: CWMKZYCJCZVSHO-UHFFFAOYSA-N
- CAS Registry Number: 18282-77-4
- Chemical structure:
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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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C2H2S+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 197.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 190.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°(+) ion | 242. | kcal/mol | N/A | N/A | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH(+) ion,0K | 234. | kcal/mol | N/A | N/A |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.77 | PE | Rosmus, Solouki, et al., 1977 | LLK |
| 8.89 | PE | Rosmus, Solouki, et al., 1977 | Vertical value; LLK |
| 8.89 | PE | Bock, Solouki, et al., 1977 | Vertical value; LLK |
De-protonation reactions
C2HS- + =
By formula: C2HS- + H+ = C2H2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 351.0 ± 4.0 | kcal/mol | G+TS | Robinson, Davico, et al., 1994 | gas phase; Data listed as M.R. Krempp, personal communication, 1994; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 343.2 ± 4.0 | kcal/mol | IMRB | Robinson, Davico, et al., 1994 | gas phase; Data listed as M.R. Krempp, personal communication, 1994; B |
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]
Rosmus, Solouki, et al., 1977
Rosmus, P.; Solouki, B.; Bock, H.,
Ground and excited states of thioketene radical cation, H2CCS+,
Chem. Phys., 1977, 22, 453. [all data]
Bock, Solouki, et al., 1977
Bock, H.; Solouki, B.; Bert, G.; Rosmus, P.,
Unstable Intermediates.5.(1)Thioketene,
J. Am. Chem. Soc., 1977, 99, 1663. [all data]
Robinson, Davico, et al., 1994
Robinson, M.S.; Davico, G.E.; Bierbaum, V.M.; Depuy, C.H.,
The gas phase ion/molecule chemistry of the carbon-13 labeled ketenyl and methyl ketenyl anions with CS2, COS, and CO2,
Int. J. Mass Spectrom. Ion Proc., 1994, 137, 107, https://doi.org/10.1016/0168-1176(94)04030-3
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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