Phosphenothious fluoride

Gas phase thermochemistry data

Go To: Top, Reaction 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.

Quantity Value Units Method Reference Comment
ΔfH°gas-172.27kJ/molReviewChase, 1998Data last reviewed in September, 1962
Quantity Value Units Method Reference Comment
S°gas,1 bar277.72J/mol*KReviewChase, 1998Data last reviewed in September, 1962

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.

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

View table.

Temperature (K) 298. to 800.800. to 6000.
A 27.0388157.78899
B 87.967760.257934
C -97.23407-0.056845
D 39.038390.004198
E -0.108550-1.907654
F -183.8224-195.1932
G 287.5759338.7634
H -172.2683-172.2683
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1962 Data last reviewed in September, 1962

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Fluorine anion + FPS = F2PS-

By formula: F- + FPS = F2PS-

Quantity Value Units Method Reference Comment
ΔrH°259. ± 21.kJ/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°234. ± 17.kJ/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°260. ± 20.kJ/molICRLarson and McMahon, 1987gas phase; bracketing; M

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:   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

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]

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]

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

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