Sulfur pentafluoride
- Formula: F5S
- Molecular weight: 127.057
- IUPAC Standard InChI: InChI=1S/F5S/c1-6(2,3,4)5
- IUPAC Standard InChIKey: HAQZDUWRNKKMQY-UHFFFAOYSA-N
- CAS Registry Number: 10546-01-7
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -217.12 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 72.837 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1977 |
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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 600. | 600. to 6000. |
|---|---|---|
| A | 5.899831 | 31.63760 |
| B | 88.29790 | -0.133594 |
| C | -119.0130 | 0.139556 |
| D | 58.86730 | -0.012475 |
| E | -0.158395 | -1.193360 |
| F | -222.4040 | -230.3270 |
| G | 57.53000 | 105.0880 |
| H | -217.1240 | -217.1240 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1977 | Data last reviewed in December, 1977 |
Gas phase ion energetics data
Go To: Top, Gas phase 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
View reactions leading to F5S+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.60 ± 0.05 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°(+) ion | 2.7 ± 4.4 | kcal/mol | N/A | N/A |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.850 ± 0.020 | ECD | Chen and Chen, 2007 | B |
| 3.850 ± 0.020 | ECD | Chen and Chen, 2007 | B |
| 3.800 ± 0.027 | Kine | Chen, Shuie, et al., 1988 | From Temperature dependence of SF5-/SF6- in API attachment to SF6; B |
| 3.70 ± 0.20 | N/A | Chase Jr., Curnutt, et al., 1982 | Literature average; B |
| 2.71 ± 0.20 | NBAE | Compton, Reinhardt, et al., 1978 | From SF6; B |
| >2.90 ± 0.10 | NBAE | Hubers and Los, 1975 | From SF6; B |
| >2.80 ± 0.20 | NBAE | Compton and Cooper, 1973 | From SF6; B |
| >2.80 ± 0.10 | Endo | Lifshitz, Tiernan, et al., 1973 | B |
| 3.17 ± 0.15 | EIAE | Curran, 1961 | From SF6, new EA(F-); B |
| 3.660 ± 0.043 | SI | Kay and Page, 1964 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.60 ± 0.05 | EVAL | Becker, Hrusak, et al., 1994 | LL |
| 9.60 ± 0.05 | END | Fischer, Kickel, et al., 1992 | T = 0K; LL |
| 9.60 ± 0.05 | BR | Sieck and Ausloos, 1990 | T = 298K; LL |
| 9.6 ± 0.7 | DER | Langford, Almeida, et al., 1990 | LL |
| ≤9.83 ± 0.23 | BR | Stone and Wytenberg, 1989 | T = 298K; LL |
| 9.65 | DER | Baumgartel, Jochims, et al., 1989 | LL |
| 10.5 ± 0.1 | DER | Babcock and Streit, 1981 | LLK |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]
Chen and Chen, 2007
Chen, E.C.M.; Chen, E.S.,
Electron affinities and activation energies for reactions with thermal electrons: SF6 and SF5,
Phys. Rev. A, 2007, 76, 3, 032508, https://doi.org/10.1103/PhysRevA.76.032508
. [all data]
Chen, Shuie, et al., 1988
Chen, E.C.M.; Shuie, L.-R.; DSa, E.D.; Batten, C.F.; Wentworth, W.E.,
The Negative Ion States of SF6,
J. Chem. Phys., 1988, 88, 8, 4711, https://doi.org/10.1063/1.454710
. [all data]
Chase Jr., Curnutt, et al., 1982
Chase Jr.; Curnutt, J.L.; Downy Jr.; McDonald, R.A.; Syverrud, A.N.; Valenzuela, E.A.,
JANAF Thermochemical Tables 1982 Supplement,
J. Phys. Chem. Ref. Data, 1982, 11, 3, 695, https://doi.org/10.1063/1.555666
. [all data]
Compton, Reinhardt, et al., 1978
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D.,
Collisional ionization between fast alkali atoms and selected hexafluoride molecules,
J. Chem. Phys., 1978, 68, 2023. [all data]
Hubers and Los, 1975
Hubers, M.M.; Los, J.,
Ion pair formation in alkali-SF6 collisions: Dependence on collisional and vibrational energy,
Chem. Phys., 1975, 10, 235. [all data]
Compton and Cooper, 1973
Compton, R.N.; Cooper, C.D.,
Molecular electron affinities from collisional ionization of cesium. II. SF6 and TeF6,
J. Chem. Phys., 1973, 59, 4140. [all data]
Lifshitz, Tiernan, et al., 1973
Lifshitz, C.; Tiernan, T.O.; Hughes, B.M.,
Electron affinities from endothermic negative-ion charge transfer reactions. IV. SF6, selected fluorocarbons, and other polyatomic molecules,
J. Chem. Phys., 1973, 59, 3182. [all data]
Curran, 1961
Curran, R.K.,
Positive and negative ion formation in CCl3F,
J. Chem. Phys., 1961, 34, 2007. [all data]
Kay and Page, 1964
Kay, J.; Page, F.M.,
Determination of Electron Affinities. Part 7.- Sulphur Hexafluoride and Disulphur Decafluoride,
Trans. Farad. Soc., 1964, 60, 1042, https://doi.org/10.1039/tf9646001042
. [all data]
Becker, Hrusak, et al., 1994
Becker, H.; Hrusak, J.; Schwarz, H.; Bohme, D.K.,
Two isomers of SF5 and SF5+: Structures and energetics,
J. Chem. Phys., 1994, 100, 1759. [all data]
Fischer, Kickel, et al., 1992
Fischer, E.R.; Kickel, B.L.; Armentrout, P.B.,
Collision-induced dissociation and charge transfer reactions of SFx+ (x = 1-5_): Thermochemistry of sulfur fluoride ions and neutrals,
J. Chem. Phys., 1992, 97, 4859. [all data]
Sieck and Ausloos, 1990
Sieck, L.W.; Ausloos, P.J.,
The ionization energy of SF5 and the SF5-F bond dissociation energy,
J. Chem. Phys., 1990, 93, 8374. [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 SFn molecules (n = 1-5) using double-charge-transfer spectroscopy,
Int. J. Mass Spectrom. Ion Processes, 1990, 98, 147. [all data]
Stone and Wytenberg, 1989
Stone, J.A.; Wytenberg, W.J.,
A high pressure mass spectrometric study of the formation and chemistry of the pentafluorosulphur cation (SF5+),
Int. J. Mass Spectrom. Ion Processes, 1989, 94, 269. [all data]
Baumgartel, Jochims, et al., 1989
Baumgartel, H.; Jochims, H.-W.; Ruhl, E.,
Photoionenspektroskopic an schwefelchloridpentafluorid SF5Cl, das ionisationspotential von schwefelpentafluorid SF5,
Z. Naturforsch. B:, 1989, 44, 21. [all data]
Babcock and Streit, 1981
Babcock, L.M.; Streit, G.E.,
Ion-molecule reactions of SF6: Determination of I. P. (SF6), A. P.(SF5+/SF6), and D(SF5-F),
J. Chem. Phys., 1981, 74, 5700. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
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
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