Sulfur difluoride

• Formula: F₂S
• Molecular weight: 70.062
• IUPAC Standard InChI: InChI=1S/F2S/c1-3-2 Copy

  
• IUPAC Standard InChIKey: QTJXVIKNLHZIKL-UHFFFAOYSA-N Copy
• 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:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References, Notes

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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

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

State:   I

State:   H

State:   G

State:   F

State:   E

State:   C

State:   B

State:   B'

State:   A

State:   X

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

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 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 thermochemistry data, 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
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

• 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.