Phosphenothious fluoride

Reaction 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.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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Individual Reactions

Fluorine anion + FPS = F2PS-

By formula: F- + FPS = F2PS-

Quantity Value Units Method Reference Comment
ΔrH°62.0 ± 5.0kcal/molIMRBLarson and McMahon, 1987gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B
Quantity Value Units Method Reference Comment
ΔrG°56.0 ± 4.0kcal/molIMRBLarson and McMahon, 1987gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B

Fluorine anion + FPS = (Fluorine anion • FPS)

By formula: F- + FPS = (F- • FPS)

Quantity Value Units Method Reference Comment
ΔrH°62. ± 5.kcal/molICRLarson and McMahon, 1987gas phase; bracketing; M

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 compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference
10.47PEBock, Kremer, et al., 1992

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:   X

Vib. 
sym. 		  No.   Approximate 
 type of mode 		  cm-1   Med.   Method   References
a' 1 PF stretch 803.25 gas IR Beckers, Bogey, et al., 2000
1 PF stretch 791.4 Ar IR Schnockel and Schunck, 1987
2 Bend 313.6 Ar IR Schnockel and Schunck, 1987
3 PS stretch 726.27 gas IR Beckers, Bogey, et al., 2001
3 PS stretch 720.2 Ar IR Schnockel and Schunck, 1987

Additional references: Jacox, 1994, page 104; Jacox, 2003, page 142

References

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

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Trends in Gas Phase Fluoride Ion Affinities of the Main Group Oxyfluorides and Fluoride Sulfides. Fluoride Adducts of FAsO, FPO, FPO2, F2SiO, F4SO, FBO, F2SiS, FPS, FAsS, F2S2, and S2O., Inorg. Chem., 1987, 26, 24, 4018, https://doi.org/10.1021/ic00271a011 . [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

Bock, Kremer, et al., 1992
Bock, H.; Kremer, M.; Solouki, B.; Binnewies, M.; Meisel, M., Gas phase reactions. FPS2 and FPS, J. Chem. Soc., Chem. Commun., 1992, 1992, 9. [all data]

Beckers, Bogey, et al., 2000
Beckers, H.; Bogey, M.; Breidung, J.; Burger, H.; Drean, P.; Paplewski, P.; Thiel, W.; Walters, A., FP=S in the gas-phase: Detection by rotationally resolved infrared and millimetre-wave spectra assisted by ab-initio calculations, Phys. Chem. Chem. Phys., 2000, 2, 11, 2467, https://doi.org/10.1039/b002625p . [all data]

Schnockel and Schunck, 1987
Schnockel, H.; Schunck, S., Matrix-IR-Untersuchungen von molekularem SPF, Z. Anorg. Allg. Chem., 1987, 552, 9, 163, https://doi.org/10.1002/zaac.19875520918 . [all data]

Beckers, Bogey, et al., 2001
Beckers, H.; Bogey, M.; Breidung, J.; Burger, H.; Demaison, J.; Drean, P.; Paplewski, P.; Thiel, W.; Walters, A., Millimeter-Wave Spectroscopy, High-Resolution Infrared Spectrum, ab Initio Calculations, and Molecular Geometry of FPS, J. Mol. Spectrosc., 2001, 210, 2, 213, https://doi.org/10.1006/jmsp.2001.8462 . [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, 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]

Notes

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