Thioacetaldehyde
- Formula: C2H4S
- Molecular weight: 60.118
- IUPAC Standard InChI: InChI=1S/C2H4S/c1-2-3/h2H,1H3
- IUPAC Standard InChIKey: QJFUMFCCMJJLIE-UHFFFAOYSA-N
- CAS Registry Number: 6851-93-0
- Chemical structure:
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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 compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C2H4S+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.3 | PE | Rao, 1975 | Vertical value; LLK |
| 8.98 ± 0.02 | PE | Kroto, Landsberg, et al., 1974 | Vertical value; LLK |
De-protonation reactions
C2H3S- + =
By formula: C2H3S- + H+ = C2H4S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 347.8 ± 3.4 | kcal/mol | G+TS | Zhang and Grabowski, 1989 | gas phase; Between MeCO2H, EtCO2H (Acid = MeCH=S); B |
| ΔrH° | 349.1 ± 4.1 | kcal/mol | G+TS | Guillemin, Riague, et al., 2005 | gas phase; Acid: CH3CH=S; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 341.0 ± 3.0 | kcal/mol | IMRB | Zhang and Grabowski, 1989 | gas phase; Between MeCO2H, EtCO2H (Acid = MeCH=S); B |
| ΔrG° | 342.3 ± 3.8 | kcal/mol | IMRB | Guillemin, Riague, et al., 2005 | gas phase; Acid: CH3CH=S; 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.
Rao, 1975
Rao, C.N.R.,
Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules,
Indian J. Chem., 1975, 13, 950. [all data]
Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A.,
The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH3CHS, and thioacetone, (CH3)2CS,
Chem. Phys. Lett., 1974, 29, 265. [all data]
Zhang and Grabowski, 1989
Zhang, L.; Grabowski, J.J.,
The Gas-Phase Basicity and H/D Exchange Characteristics of the Parent Thiocarbonyl Enolate Anions, J. Chem. Soc. Chem. Comm. 1819, 1989. [all data]
Guillemin, Riague, et al., 2005
Guillemin, J.C.; Riague, E.H.; Gal, J.F.; Maria, P.C.; Mo, O.; Yanez, M.,
Acidity trends in alpha,beta-unsaturated sulfur, selenium, and tellurium derivatives: Comparison with C-, Si-, Ge-, Sn-, N-, P-, As-, and Sb-containing analogues,
Chem. Eur. J., 2005, 11, 7, 2145-2153, https://doi.org/10.1002/chem.200400989
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
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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