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:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Gas phase thermochemistry data
Data at other public NIST sites:
Options:
- Switch to calorie-based units

Gas phase ion energetics data

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to F₂S⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.08	eV	N/A	N/A	L

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.90 ± 0.70	IMRB	Miller, Miller, et al., 1995	B
>3.10 ± 0.50	Endo	Langford, Almeida, et al., 1990	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.08	PI	Losking and Willner, 1985	LBLHLM
10.29 ± 0.10	EI	Gombler, Haas, et al., 1980	LLK
10.08	PE	De Leeuw, Mooyman, et al., 1978	LLK
10.29 ± 0.10	EI	Hildenbrand, 1973	LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
FS⁺	13.95 ± 0.10	F	EI	Gombler, Haas, et al., 1980	LLK
FS⁺	~18.	F	EI	DiLonardo and Trombetti, 1970	RDSH

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Marilyn E. Jacox

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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Miller, Miller, et al., 1995
Miller, A.E.S.; Miller, T.M.; Viggiano, A.A.; Morris, R.A.; Vandoren, J.M.; Arnold, S.T.; Paulson, J., Negative ion chemistry of SF4, J. Chem. Phys., 1995, 102, 22, 8865, https://doi.org/10.1063/1.468940 . [all data]

Langford, Almeida, et al., 1990
Langford, M.L.; Almeida, D.P.; Harris, F.M., Measurements of single ionization energies or electron affinities of SF_n molecules (n = 1-5) using double-charge-transfer spectroscopy, Int. J. Mass Spectrom. Ion Processes, 1990, 98, 147. [all data]

Losking and Willner, 1985
Losking, O.; Willner, H., Thermochemische daten und photoionisation-massenspektren von SSF₂, FSSF, SF₃SF und SF₃SSF, Z. Anorg. Allg. Chem., 1985, 530, 169. [all data]

Gombler, Haas, et al., 1980
Gombler, W.; Haas, A.; Willner, H., Chalkogenfluoride in niedrigen oxydationsstufen. V. Die ungewohnlichen chemischen gleichgewichte F₃S-SF = 2 SF₂ und CF₃SF₂-SCF₃ = 2 CF₃SF, Z. Anorg. Allg. Chem., 1980, 469, 135. [all data]

De Leeuw, Mooyman, et al., 1978
De Leeuw, D.M.; Mooyman, R.; De Lange, C.A., He(I) photoelectron spectroscopy of transient species: The SF₂ molecule, Chem. Phys., 1978, 34, 287. [all data]

Hildenbrand, 1973
Hildenbrand, D.L., Mass spectrometric studies of some gaseous sulfur fluorides, J. Phys. Chem., 1973, 77, 897. [all data]

DiLonardo and Trombetti, 1970
DiLonardo, G.; Trombetti, A., Spectrum of SF, J. Chem. Soc. Faraday Trans., 1970, 66, 2694. [all data]

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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

AE Appearance energy

EA Electron affinity

IE (evaluated) Recommended ionization energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

AE	Appearance energy
EA	Electron affinity
IE (evaluated)	Recommended ionization energy