Thiophosphoryl fluoride
- Formula: F3PS
- Molecular weight: 120.034
- IUPAC Standard InChI: InChI=1S/FH2O2PS/c1-4(2,3)5/h(H2,2,3,5)
- IUPAC Standard InChIKey: FDYJNMHGRBMQLJ-UHFFFAOYSA-N
- CAS Registry Number: 2404-52-6
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, 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 | -1009.07 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1969 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 298.12 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1969 |
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 1400. | 1400. to 6000. |
|---|---|---|
| A | 64.85660 | 107.8125 |
| B | 91.50617 | 0.140373 |
| C | -72.29617 | -0.026427 |
| D | 19.93852 | 0.001728 |
| E | -1.045871 | -5.145191 |
| F | -1035.385 | -1055.862 |
| G | 346.4821 | 406.3133 |
| H | -1009.068 | -1009.068 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1969 | Data last reviewed in December, 1969 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Ion clustering 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.1 ± 0.3 | EI | Kiser, Dillard, et al., 1969 | RDSH |
| 11.05 ± 0.035 | PE | Elbel and Dieck, 1976 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| PF+ | 22.9 ± 0.4 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
| PF2+ | 17.2 ± 0.3 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
| PSF2+ | 16.0 ± 0.2 | F | EI | Kiser, Dillard, et al., 1969 | RDSH |
| PF3+ | 14.3 ± 0.2 | S | EI | Kiser, Dillard, et al., 1969 | RDSH |
| PS+ | 19.2 ± 0.5 | ? | EI | Kiser, Dillard, et al., 1969 | RDSH |
Ion clustering data
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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: F- + F3PS = (F- • F3PS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 201. ± 38. | kJ/mol | IMRB | Rhyne and Dillard, 1971 | gas phase; Fluoride Affinity: between SF4, SF5. Original value 32±10, now altered with new aff. |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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]
Kiser, Dillard, et al., 1969
Kiser, R.W.; Dillard, J.G.; Dugger, D.L.,
Mass spectrometry of inorganic halides,
Advan. Chem. Ser., 1969, 72, 153. [all data]
Elbel and Dieck, 1976
Elbel, S.; Dieck, H.t.,
Photoelectron spectra of group 5 compounds. Part IV. A study of the E-X bond in R3EX compounds (R = Me or F; E = N or P; X = O or S),
J. Chem. Soc. Dalton Trans., 1976, 1757. [all data]
Rhyne and Dillard, 1971
Rhyne, T.C.; Dillard, J.G.,
Reactions of gaseous inorganic negative ions: III. SF6- with POF3 and PSF3,
Int. J. Mass Spectrom. Ion Phys., 1971, 7, 371. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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