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Thioacetaldehyde


Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas12. ± 2.kcal/molIonButler and Baer, 1983 

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C2H3S- + Hydrogen cation = Thioacetaldehyde

By formula: C2H3S- + H+ = C2H4S

Quantity Value Units Method Reference Comment
Deltar347.8 ± 3.4kcal/molG+TSZhang and Grabowski, 1989gas phase; Between MeCO2H, EtCO2H (Acid = MeCH=S)
Deltar349.1 ± 4.1kcal/molG+TSGuillemin, Riague, et al., 2005gas phase; Acid: CH3CH=S
Quantity Value Units Method Reference Comment
Deltar341.0 ± 3.0kcal/molIMRBZhang and Grabowski, 1989gas phase; Between MeCO2H, EtCO2H (Acid = MeCH=S)
Deltar342.3 ± 3.8kcal/molIMRBGuillemin, Riague, et al., 2005gas phase; Acid: CH3CH=S

(CAS Reg. No. 20733-13-5 bullet 4294967295Thioacetaldehyde) + Thioacetaldehyde = CAS Reg. No. 20733-13-5

By formula: (CAS Reg. No. 20733-13-5 bullet 4294967295C2H4S) + C2H4S = CAS Reg. No. 20733-13-5

Quantity Value Units Method Reference Comment
Deltar68.3 ± 3.0kcal/molN/ABartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   F


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 51560 ± 200 gas Judge, Moule, et al., 1983

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 52770 ± 100 gas Judge, Moule, et al., 1983

State:   C


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 45260 ± 100 gas Judge, Moule, et al., 1983

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 47600 ± 100 gas Judge, Moule, et al., 1983


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' C=S stretch 1154 gas AB Judge, Moule, et al., 1983

State:   A


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 17900 ± 100 gas Judge, Moule, et al., 1983

State:   a


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

To = 16294.9 gas a-X 571 630 Judge, Moule, et al., 1983
Judge, Moule, et al., 1987
Moule, Bascal, et al., 1992


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 9 CS stretch 747.2 gas AB LF Judge, Moule, et al., 1987
Moule, Bascal, et al., 1992
10 CCS deform. 283.9 gas LF Moule, Bascal, et al., 1992
a 14 Wag 249.4 gas LF Moule, Bascal, et al., 1992
15 Torsion 52.0 gas LF Moule, Bascal, et al., 1992

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

CH stretch 3010.4 w Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
CH stretch 2982.0 w Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
CH stretch 2944.4 m Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
CH stretch 2908.7 w Ar IR Maier, Flogel, et al., 1991
1435.3 m Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
1433.4 w m Ar IR Maier, Flogel, et al., 1991
1357.7 s Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
1345.6 vs Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
C=S stretch 1240 gas AB Judge, Moule, et al., 1987
1140.7 s Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
1065.0 w m Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
1020.2 w m Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
820.1 w Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
747.8 s Ar IR Maier, Flogel, et al., 1991
Suzuki, Watanabe, et al., 1993
15 Torsion 163.0 gas LF Moule, Bascal, et al., 1992

Additional references: Jacox, 1994, page 363; Jacox, 1998, page 324; Kroto and Landsberg, 1976; Bruno, Moule, et al., 1989; Smeyers, Nino, et al., 1990

Notes

wWeak
mMedium
sStrong
vsVery strong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Butler and Baer, 1983
Butler, J.J.; Baer, T., A photo-ionization study of organosulfur ring compounds: Thiirane, thietane and tetrahydrothiophene, Org. Mass Spectrom., 1983, 18, 248-253. [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]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Judge, Moule, et al., 1983
Judge, R.H.; Moule, D.C.; Bruno, A.E.; Steer, R.P., Thioketone spectroscopy: An analysis of the lower electronic transitions in thioacetone and thioacetaldehyde, Chem. Phys. Lett., 1983, 102, 4, 385, https://doi.org/10.1016/0009-2614(83)87061-4 . [all data]

Judge, Moule, et al., 1987
Judge, R.H.; Moule, D.C.; Bruno, A.E.; Steer, R.P., Thiocarbonyl spectroscopy: Methyl torsional vibrations and internal rotational barriers of thioacetaldehyde in its a 3A' and X 1A' states, J. Chem. Phys., 1987, 87, 1, 60, https://doi.org/10.1063/1.453554 . [all data]

Moule, Bascal, et al., 1992
Moule, D.C.; Bascal, H.A.; Smeyers, Y.G.; Clouthier, D.J.; Karolczak, J.; Nino, A., An analysis of the methyl rotation and aldehyde wagging dynamics in the S0 (X 1A') and T1 (a 3A') states of thioacetaldehyde from pyrolysis jet spectra, J. Chem. Phys., 1992, 97, 6, 3964, https://doi.org/10.1063/1.462935 . [all data]

Maier, Flogel, et al., 1991
Maier, G.; Flogel, U.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J., HCl-Abspaltung aus Ethansulfenylchlorid und Chlordimethylsulfid, Chem. Ber., 1991, 124, 11, 2609, https://doi.org/10.1002/cber.19911241134 . [all data]

Suzuki, Watanabe, et al., 1993
Suzuki, E.; Watanabe, O.; Happoya, A.; Watari, E., Photolysis of 2-methylthietane and 2,4-dimethylthietane in argon matrices: Matrix infrared spectra of thioacetaldehyde, Vib. Spectrosc., 1993, 5, 3, 353, https://doi.org/10.1016/0924-2031(93)87011-H . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Kroto and Landsberg, 1976
Kroto, H.W.; Landsberg, B.M., The microwave spectrum, substitution structure, internal rotation barrier, and dipole moment of thioacetaldehyde, CH3CHS, J. Mol. Spectrosc., 1976, 62, 3, 346, https://doi.org/10.1016/0022-2852(76)90275-7 . [all data]

Bruno, Moule, et al., 1989
Bruno, A.E.; Moule, D.C.; Steer, R.P., Decay dynamics of the lowest triplet and lowest excited singlet states of thioacetaldehyde and thioacetone, J. Photochem. Photobiol. A: Chem., 1989, 46, 2, 169, https://doi.org/10.1016/1010-6030(89)80003-6 . [all data]

Smeyers, Nino, et al., 1990
Smeyers, Y.G.; Nino, A.; Moule, D.C., Dynamical and spectroscopic studies of nonrigid molecules. Application to the visible spectrum of thioacetaldehyde, J. Chem. Phys., 1990, 93, 8, 5786, https://doi.org/10.1063/1.459574 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References