Sulfur difluoride


Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Δfgas-296.65kJ/molReviewChase, 1998Data last reviewed in June, 1976
Quantity Value Units Method Reference Comment
gas,1 bar257.70J/mol*KReviewChase, 1998Data last reviewed in June, 1976

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1000.1000. to 6000.
A 33.7949257.99150
B 62.680500.121780
C -61.65417-0.025398
D 21.628430.001801
E -0.238158-1.894960
F -309.8064-319.5158
G 281.1188319.2434
H -296.6464-296.6464
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1976 Data last reviewed in June, 1976

Gas phase ion energetics data

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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 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)10.08eVN/AN/AL

Electron affinity determinations

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

Ionization energy determinations

IE (eV) Method Reference Comment
10.08PILosking and Willner, 1985LBLHLM
10.29 ± 0.10EIGombler, Haas, et al., 1980LLK
10.08PEDe Leeuw, Mooyman, et al., 1978LLK
10.29 ± 0.10EIHildenbrand, 1973LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
FS+13.95 ± 0.10FEIGombler, Haas, et al., 1980LLK
FS+~18.FEIDiLonardo and Trombetti, 1970RDSH

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:   J


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

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

State:   B


 Energy 
 (cm-1
 Med.   Transition   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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   λmin 
 (nm) 
 λmax 
 (nm) 
 References

To = 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

mMedium
vsVery strong
oEnergy separation between the v = 0 levels of the excited and electronic ground states.

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

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 SFn 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

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