Sulfur difluoride

Formula: F₂S
Molecular weight: 70.062
IUPAC Standard InChI: InChI=1S/F2S/c1-3-2
IUPAC Standard InChIKey: QTJXVIKNLHZIKL-UHFFFAOYSA-N
CAS Registry Number: 13814-25-0
Chemical structure:
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Vibrational and/or electronic energy levels

State: J

Energy (cm^-1)	Med.	References


T_o = 68951	gas	Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	942 ± 3	gas	MPI	Li, Shu, et al., 1998

State: I

Energy (cm^-1)	Med.	References


T_o = 68847	gas	Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	933 ± 4	gas	MPI	Li, Shu, et al., 1998

State: H

Energy (cm^-1)	Med.	References


T_o = 68571	gas	Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	936 ± 4	gas	MPI	Li, Shu, et al., 1998

State: G

Energy (cm^-1)	Med.	References


T_o = 68378	gas	Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	939 ± 12	gas	MPI	Li, Shu, et al., 1998

State: F

Energy (cm^-1)	Med.	References


T_o = 63812	gas	Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	966 ± 6	gas	MPI	Li, Shu, et al., 1998
	2	Bend	417 ± 23	gas	MPI	Li, Shu, et al., 1998

State: E

Energy (cm^-1)	Med.	References


T_o = 62025 ± 30	gas	Johnson and Hudgens, 1990
		Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	941 ± 27	gas	MPI	Johnson and Hudgens, 1990 Li, Shu, et al., 1998
	2	Bend	412 ± 12	gas	MPI	Johnson and Hudgens, 1990 Li, Shu, et al., 1998

State: C

Med.	Transition	λ_min (nm)	λ_max (nm)	References


gas	C-X	165	175	Johnson and Hudgens, 1990
				Li, Shu, et al., 1998

State: B

Energy (cm^-1)	Med.	References


T_o = 54433 ± 30	gas	Johnson and Hudgens, 1990
		Li, Shu, et al., 1998

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


a₁	1	Sym. stretch	991 ± 12	gas	MPI	Johnson and Hudgens, 1990 Li, Shu, et al., 1998
	2	Bend	361 ± 24	gas	MPI	Johnson and Hudgens, 1990 Li, Shu, et al., 1998

State: B'

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


T_o = 38623	gas	B'-X	235	260	Li, Shu, et al., 1998
					Li, Zhang, et al., 1999

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


a₁	1	Sym. stretch	926 ± 4	gas	MPI	Li, Zhang, et al., 1999

State: A

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


T_o = 18100 ± 1000	gas	A-X	550	850	Glinski, 1986
					Glinski, Mishalanie, et al., 1987
					Glinski and Taylor, 1989
					Glinski, Taylor, et al., 1990

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


a₁	2	Bend	243 ± 6	gas	CL	Glinski, Taylor, et al., 1990

State: X

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


a₁	1	Sym. stretch	838.53		gas	IR CL	Deroche, Burger, et al., 1981 Glinski, 1986 Glinski, Mishalanie, et al., 1987 Glinski and Taylor, 1989 Glinski, Taylor, et al., 1990
	1	Sym. stretch	834		Ne	IR	Haas and Willner, 1978
	1	Sym. stretch	832	vs	Ar	IR	Haas and Willner, 1978 Hassanzadeh and Andrews, 1992
	1	Sym. stretch	825		N₂	IR	Haas and Willner, 1978
	2	Bend	355 ± 2		gas	MW CL	Kirchhoff, Johnson, et al., 1973 Glinski, 1986 Glinski, Mishalanie, et al., 1987 Glinski and Taylor, 1989 Glinski, Taylor, et al., 1990
	2	Bend	358		Ne	IR	Haas and Willner, 1978
	2	Bend	358	m	Ar	IR	Haas and Willner, 1978
	2	Bend	358		N₂	IR	Haas and Willner, 1978
b₂	3	Asym. stretch	813.04		gas	IR CL	Deroche, Burger, et al., 1981 Glinski, Taylor, et al., 1990
	3	Asym. stretch	807.5		Ne	IR	Haas and Willner, 1978
	3	Asym. stretch	804	vs	Ar	IR	Haas and Willner, 1978 Hassanzadeh and Andrews, 1992
	3	Asym. stretch	795		N₂	IR	Willner, 1981

Additional references: Jacox, 1994, page 114; Jacox, 1998, page 207; Jacox, 2003, page 151; Johnson and Powell, 1969; Endo, Saito, et al., 1979; Gatehouse, Muller, et al., 1997

Notes

Medium

Very strong

Energy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Li, Shu, et al., 1998
Li, Q.; Shu, J.; Zhang, Q.; Yu, S.; Zhang, L.; Chen, C.; Ma, X., Electronic Band Systems of SF, J. Phys. Chem. A, 1998, 102, 37, 7233, https://doi.org/10.1021/jp981769p . [all data]

Johnson and Hudgens, 1990
Johnson, R.D., III; Hudgens, J.W., Electronic spectra of sulfur difluoride radicals between 295 and 495 nm observed with resonance-enhanced multiphoton ionization spectroscopy, J. Phys. Chem., 1990, 94, 8, 3273, https://doi.org/10.1021/j100371a011 . [all data]

Li, Zhang, et al., 1999
Li, Q.; Zhang, Q.; Shu, J.; Yu, S.; Song, Q.; Chen, C.; Ma, X., A new excited electronic state of SF2 radical observed by resonance-enhanced multiphoton ionization, Chem. Phys. Lett., 1999, 305, 1-2, 79, https://doi.org/10.1016/S0009-2614(99)00368-1 . [all data]

Glinski, 1986
Glinski, R.J., A new molecular electronic emission spectrum observed in the reaction of F2 with CS2, Chem. Phys. Lett., 1986, 129, 4, 342, https://doi.org/10.1016/0009-2614(86)80355-4 . [all data]

Glinski, Mishalanie, et al., 1987
Glinski, R.J.; Mishalanie, E.A.; Birks, J.W., Molecular emission spectra in the visible and near IR produced in the chemiluminescent reactions of molecular fluorine with organosulfur compounds, J. Photochem., 1987, 37, 2, 217, https://doi.org/10.1016/0047-2670(87)85002-5 . [all data]

Glinski and Taylor, 1989
Glinski, R.J.; Taylor, C.D., Effects of isotopic substitution on the chemiluminescence spectra obtained during the reaction of F2 with CS2, Chem. Phys. Lett., 1989, 155, 4-5, 511, https://doi.org/10.1016/0009-2614(89)87195-7 . [all data]

Glinski, Taylor, et al., 1990
Glinski, R.J.; Taylor, C.D.; Kutzler, F.W., Vibrational analysis of an electronic emission spectrum of sulfur fluorides (32SF2 and 34SF2), J. Phys. Chem., 1990, 94, 16, 6196, https://doi.org/10.1021/j100379a011 . [all data]

Deroche, Burger, et al., 1981
Deroche, J.-C.; Burger, H.; Schulz, P.; Willner, H., Infrared spectrum of sulfur difluoride in the gas phase around 12.5 μm, J. Mol. Spectrosc., 1981, 89, 2, 269, https://doi.org/10.1016/0022-2852(81)90022-9 . [all data]

Haas and Willner, 1978
Haas, A.; Willner, H., Spectrochim. Acta, 1978, 34A, 541. [all data]

Hassanzadeh and Andrews, 1992
Hassanzadeh, P.; Andrews, L., Matrix reactions of sulfur atoms and fluorine. Infrared spectra of sulfur monofluoride, sulfur difluoride and sulfur trifluoride in solid argon, J. Phys. Chem., 1992, 96, 1, 79, https://doi.org/10.1021/j100180a018 . [all data]

Kirchhoff, Johnson, et al., 1973
Kirchhoff, W.H.; Johnson, D.R.; Powell, F.X., Centrifugal distortion effects in SF2: Calculation of the force field and infrared spectrum, J. Mol. Spectrosc., 1973, 48, 1, 157, https://doi.org/10.1016/0022-2852(73)90144-6 . [all data]

Willner, 1981
Willner, H., Chalkogenfluoride in niedrigen Oxydationsstufen. VII. Photochemische Erzeugung von SF2 und SeF2 in Argonmatrix, Z. Anorg. Allg. Chem., 1981, 481, 10, 117, https://doi.org/10.1002/zaac.19814811013 . [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]

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]

Johnson and Powell, 1969
Johnson, D.R.; Powell, F.X., Microwave Spectrum and Structure of Sulfur Difluoride, Science, 1969, 164, 3882, 950, https://doi.org/10.1126/science.164.3882.950 . [all data]

Endo, Saito, et al., 1979
Endo, Y.; Saito, S.; Hirota, E.; Chikaraishi, T., Microwave spectrum of sulfur difluoride in the first excited vibrational states vibrational potential function and equilibrium structure, J. Mol. Spectrosc., 1979, 77, 2, 222, https://doi.org/10.1016/0022-2852(79)90104-8 . [all data]

Gatehouse, Muller, et al., 1997
Gatehouse, B.; Muller, H.S.P.; Gerry, M.C.L., [sup 19]F spin-rotation constants and shielding tensor of sulphur difluoride from its microwave spectrum, J. Chem. Phys., 1997, 106, 17, 6916, https://doi.org/10.1063/1.473716 . [all data]

Notes

Go To: Top, Vibrational and/or electronic energy levels, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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