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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
Deltafgas-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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View table.

Temperature (K) 298. - 1000.1000. - 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

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

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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

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

State:   B


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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   «lambda»min 
 (nm) 
 «lambda»max 
 (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, 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 «mu»m, 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 thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References