(CD3)2CS

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:   E
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 52331 gas E-X 188 191 Paone, Moule, et al., 1984
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 8 C3 deform. 261 ± 5 gas AB Paone, Moule, et al., 1984

State:   D
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 51510 gas D-X 192 194 Paone, Moule, et al., 1984
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 8 C3 deform. 284 ± 7 gas AB Paone, Moule, et al., 1984

State:   C
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 44464 gas C-X 216 227 Paone, Moule, et al., 1984
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 3 C=S stretch 1134 gas AB Paone, Moule, et al., 1984
5 CD3 deform. 1058 gas AB Paone, Moule, et al., 1984
8 C3 deform. 274 gas AB Paone, Moule, et al., 1984

State:   a
 Energy 
 (cm-1) 		  Med.   Transition   λmin 
 (nm) 		  λmax 
 (nm) 		  References
To = 17349.8 gas a-X 510 589 Moule, Smeyers, et al., 1991
Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 10 CS stretch 595.0 gas LF Moule, Smeyers, et al., 1991
11 C3 deform. 273.0 T gas LF Moule, Smeyers, et al., 1991
12 S wag 173.8 gas LF Moule, Smeyers, et al., 1991
13 CD3 torsion 101.4 gas LF Moule, Smeyers, et al., 1991

State:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a1 8 C3 deform. 317 gas AB Judge, Moule, et al., 1983
Paone, Moule, et al., 1984
b1 17 S wag 114.7 gas LF Moule, Smeyers, et al., 1991

Notes

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

References

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

Paone, Moule, et al., 1984
Paone, S.; Moule, D.C.; Bruno, A.E.; Steer, R.P., Vibronic analyses of the Rydberg and lower intravalence electronic transitions in thioacetone, J. Mol. Spectrosc., 1984, 107, 1, 1, https://doi.org/10.1016/0022-2852(84)90260-1 . [all data]

Moule, Smeyers, et al., 1991
Moule, D.C.; Smeyers, Y.G.; Senent, M.L.; Clouthier, D.J.; Karolczak, J.; Judge, R.H., An analysis of the methyl rotation dynamics in the S0 (X 1A1) and T1 (a 3A2) states of thioacetone, (CH3)2CS and (CD3)2CS from pyrolysis jet spectra, J. Chem. Phys., 1991, 95, 5, 3137, https://doi.org/10.1063/1.460871 . [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]

Notes

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