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Thioketene


Vibrational and/or electronic energy levels

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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 by: Marilyn E. Jacox

State:   A


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

To = 17995 T gas A-X 450 550 Clouthier, 1987


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

a' 2 C=C stretch 1402 gas AB Clouthier, 1987
8 CCS bend 284 T gas AB Clouthier, 1987

State:   X


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

a1 1 CH2 s-stretch 3020 gas IR Kroto and McNaughton, 1985
1 CH2 s-stretch 3012 w Ar IR Krantz and Laureni, 1974
Krantz and Laureni, 1981
Torres, Safarik, et al., 1984
2 C=C stretch 1757 gas IR Kroto and McNaughton, 1985
2 C=C stretch 1755 vs Ar IR Krantz and Laureni, 1974
Krantz and Laureni, 1981
Torres, Safarik, et al., 1984
Hawkins, Almond, et al., 1985
3 CH2 scissors 1331.67 gas IR Kroto and McNaughton, 1985
Jarman and Kroto, 1991
3 CH2 scissors 1323 m Ar IR Krantz and Laureni, 1974
Krantz and Laureni, 1981
Torres, Safarik, et al., 1984
4 C=S stretch 850 gas IR Kroto and McNaughton, 1985
4 C=S stretch 858 Ar IR Torres, Safarik, et al., 1984
b1 5 H2C=C OPLA 698.09 gas IR Jarman and Kroto, 1991
5 H2C=C OPLA 692 s Ar IR Krantz and Laureni, 1974
Krantz and Laureni, 1981
Torres, Safarik, et al., 1984
Hawkins, Almond, et al., 1985
6 CCS bend 413.85 gas IR McNaughton, Robertson, et al., 1996
6 CCS bend 404 w Ar IR Krantz and Laureni, 1974
Torres, Safarik, et al., 1984
b2 7 CH2 a-stretch 3107.33 gas IR Kroto and McNaughton, 1985
Jarman and Kroto, 1991
7 CH2 a-stretch 3097 Ar IR Torres, Safarik, et al., 1984
7 CH2 a-stretch 3068 Ar IR Torres, Safarik, et al., 1984
8 CH2 rock 921.60 gas IR Kroto and McNaughton, 1985
Jarman and Kroto, 1991
8 CH2 rock 918 Ar IR Torres, Safarik, et al., 1984
9 CCS bend 357.45 gas IR McNaughton, Robertson, et al., 1996
9 CCS bend 356 Ar IR Torres, Safarik, et al., 1984

Additional references: Jacox, 1994, page 255; Jacox, 1998, page 282; Georgiou, Kroto, et al., 1974; Bak, Nielsen, et al., 1979; Georgiou, Kroto, et al., 1979; Winnewisser and Schafer, 1980

Notes

wWeak
mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, 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.

Clouthier, 1987
Clouthier, D.J., The electronic spectrum of thioketene and the excited-state structure of ketene, J. Phys. Chem., 1987, 91, 6, 1354, https://doi.org/10.1021/j100290a016 . [all data]

Kroto and McNaughton, 1985
Kroto, H.W.; McNaughton, D., Fourier transform infrared spectrum of thioketene, CH2«58875»C«58875»S, J. Mol. Spectrosc., 1985, 114, 2, 473, https://doi.org/10.1016/0022-2852(85)90239-5 . [all data]

Krantz and Laureni, 1974
Krantz, A.; Laureni, J., Matrix photolysis of 1,2,3-thiadiazole. Possible involvement of thiirene, J. Am. Chem. Soc., 1974, 96, 21, 6768, https://doi.org/10.1021/ja00828a043 . [all data]

Krantz and Laureni, 1981
Krantz, A.; Laureni, J., Characterization of matrix-isolated antiaromatic three-membered heterocycles. Preparation of the elusive thiirene molecule, J. Am. Chem. Soc., 1981, 103, 3, 486, https://doi.org/10.1021/ja00393a002 . [all data]

Torres, Safarik, et al., 1984
Torres, M.; Safarik, I.; Clement, A.; Gosavi, R.K.; Strausz, O.P., The vibrational spectra of thioketene and deuterothioketenes, Can. J. Chem., 1984, 62, 12, 2777, https://doi.org/10.1139/v84-471 . [all data]

Hawkins, Almond, et al., 1985
Hawkins, M.; Almond, M.J.; Downs, A.J., Photochemistry of low-temperature matrixes containing carbonyl sulfide: reactions of sulfur atoms with the phosphorus trihalides phosphorus trifluoride (PF3) and phosphorus trichloride (PCl3) and the hydrocarbons methane, ethene, and ethyne, J. Phys. Chem., 1985, 89, 15, 3326, https://doi.org/10.1021/j100261a034 . [all data]

Jarman and Kroto, 1991
Jarman, C.N.; Kroto, H.W., J. Chem. Soc., 1991, Faraday Trans. 87, 1815. [all data]

McNaughton, Robertson, et al., 1996
McNaughton, D.; Robertson, E.G.; Hatherley, L.D., Resonance between the Ground Vibrational State and the Lowest Frequency Bending Mode of Thioketene, J. Mol. Spectrosc., 1996, 175, 2, 377, https://doi.org/10.1006/jmsp.1996.0043 . [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]

Georgiou, Kroto, et al., 1974
Georgiou, K.; Kroto, H.W.; Landsberg, B.M., J. Chem. Soc., 1974, Chem. Commun., 739. [all data]

Bak, Nielsen, et al., 1979
Bak, B.; Nielsen, O.J.; Svanholt, H.; Holm, A.; Toubro, N.H.; Krantz, A.; Laureni, J., Microwave Spectra of Thioketene and Four of Its Isotopic Species., Acta Chem. Scand. A33, 1979, 33a, 161, https://doi.org/10.3891/acta.chem.scand.33a-0161 . [all data]

Georgiou, Kroto, et al., 1979
Georgiou, K.; Kroto, H.W.; Landsberg, B.M., The microwave spectrum, substitution structure, and dipole moment of thioketen, H2C«58875»C«58875»S, J. Mol. Spectrosc., 1979, 77, 3, 365, https://doi.org/10.1016/0022-2852(79)90178-4 . [all data]

Winnewisser and Schafer, 1980
Winnewisser, M.; Schafer, E., Z. Naturforsch., 1980, 35a, 483. [all data]


Notes

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