CF3S

Formula: CF₃S
Molecular weight: 101.071
CAS Registry Number: 29245-71-4
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Vibrational and/or electronic energy levels

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


26393.16 ± 0.02	gas	A-X	339	380	Powers, Pushkarsky, et al., 1995
					Powers, Pushkarsky, et al., 1997
					Yang, Williamson, et al., 1997

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


a₁	1	CF stretch	990.5	gas	LF FD	Powers, Pushkarsky, et al., 1997 Yang, Williamson, et al., 1997
	2	CF₃ umbrella	737.7	gas	LF FD	Powers, Pushkarsky, et al., 1997 Yang, Williamson, et al., 1997
	3	CS stretch	310.2	gas	LF FD	Powers, Pushkarsky, et al., 1995 Powers, Pushkarsky, et al., 1997 Yang, Williamson, et al., 1997
e	5	CF₃ deformation	548	gas	LF FD	Powers, Pushkarsky, et al., 1997 Yang, Williamson, et al., 1997
	6	CF₃ rock	281.4	gas	LF FD	Powers, Pushkarsky, et al., 1997 Yang, Williamson, et al., 1997

State: X

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


a₁	1	CF₃ s-stretch	1142	w	gas	LF	Backholtz, Yang, et al., 1999
	2	CS stretch	765	w	gas	LF	Backholtz, Yang, et al., 1999
	3	CF₃ umbrella	449	w	gas	LF	Backholtz, Yang, et al., 1999
e	5	CF₃ deform.	536	w	gas	LF	Backholtz, Yang, et al., 1999
	6	FCS deform.	320	w	gas	LF	Backholtz, Yang, et al., 1999

Additional references: Jacox, 1998, page 303; Jacox, 2003, page 302

Notes

Weak

References

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Powers, Pushkarsky, et al., 1995
Powers, D.E.; Pushkarsky, M.; Miller, T.A., Laser-induced fluorescence and fluorescence depletion spectroscopy of the jet-cooled CF3S radical, Chem. Phys. Lett., 1995, 247, 4-6, 548, https://doi.org/10.1016/S0009-2614(95)01252-4 . [all data]

Powers, Pushkarsky, et al., 1997
Powers, D.E.; Pushkarsky, M.B.; Yang, M.-C.; Miller, T.A., Spectroscopy and Photochemical Dynamics of the CF, J. Phys. Chem. A, 1997, 101, 51, 9846, https://doi.org/10.1021/jp972202w . [all data]

Yang, Williamson, et al., 1997
Yang, M.-C.; Williamson, J.M.; Miller, T.A., Rotational Analyses of the Laser Induced Fluorescence Excitation Spectra of Jet-Cooled CF3O and CF3S, J. Mol. Spectrosc., 1997, 186, 1, 1, https://doi.org/10.1006/jmsp.1997.7429 . [all data]

Backholtz, Yang, et al., 1999
Backholtz, T.A.; Yang, M.-C.; Miller, T.A., Jahn---Teller coupling in the [Xtilde], Mol. Phys., 1999, 97, 1-2, 239, https://doi.org/10.1080/00268979909482826 . [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]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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