Phosphenothious fluoride
- Formula: FPS
- Molecular weight: 82.037
- CAS Registry Number: 55753-39-4
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -172.27 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 277.72 | J/mol*K | Review | Chase, 1998 | Data 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.
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| Temperature (K) | 298. to 800. | 800. to 6000. |
|---|---|---|
| A | 27.03881 | 57.78899 |
| B | 87.96776 | 0.257934 |
| C | -97.23407 | -0.056845 |
| D | 39.03839 | 0.004198 |
| E | -0.108550 | -1.907654 |
| F | -183.8224 | -195.1932 |
| G | 287.5759 | 338.7634 |
| H | -172.2683 | -172.2683 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1962 | Data last reviewed in September, 1962 |
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 |
|---|---|---|
| 10.47 | PE | Bock, 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
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]
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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- Symbols used in this document:
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
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