Sulfur trifluoride
- Formula: F3S
- Molecular weight: 89.060
- IUPAC Standard InChIKey: PSCXEUSWZWRCMQ-UHFFFAOYSA-N
- CAS Registry Number: 30937-38-3
- Chemical structure:
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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 | -503.03 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 286.04 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 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 (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 6000. |
---|---|
A | 79.03576 |
B | 3.517581 |
C | -0.979303 |
D | 0.089043 |
E | -1.566039 |
F | -531.9914 |
G | 371.8735 |
H | -503.0298 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1977 |
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 by: John E. Bartmess
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
By formula: (F4S- • 4294967295F3S) + F3S = F4S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 177. ± 13. | kJ/mol | Ther | Miller, Miller, et al., 1995 | gas phase |
ΔrH° | 182. ± 32. | kJ/mol | Ther | Viggiano, MIller, et al., 1991 | gas phase; Between mCF3-nitrobenzene, C6F5NO2 |
ΔrH° | 264. ± 39. | kJ/mol | Ther | Babcock and Streit, 1981 | gas phase; EA: between NO2-, HS- |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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.
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess
View reactions leading to F3S+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
3.07 ± 0.20 | NBAE | Compton, Reinhardt, et al., 1978 | From SF6; B |
2.90 ± 0.10 | EIAE | Harland and Thynne, 1971 | From SF4; B |
2.50 ± 0.50 | IMRB | Miller, Miller, et al., 1995 | S- + SF4 -> SF3- + SF observed. SF3- + SF4 -> SF5- + SF2 observed; B |
2.73 ± 0.65 | N/A | Chase Jr., Curnutt, et al., 1982 | Reanalysis: Harland and Thynne, 1971; B |
2.71 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.18 ± 0.07 | END | Fischer, Kickel, et al., 1992 | LL |
7.3 | EI | Langford, Almeida, et al., 1990 | LL |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction 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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Eq. SF2 s-str. | 843.8 | Ar | IR | Hassanzadeh and Andrews, 1992 | |||
Ax. SF2 a-str. | 681.8 | Ar | IR | Smardzewski and Fox, 1976 Smardzewski and Fox, 1977 Hassanzadeh and Andrews, 1992 | |||
Additional references: Jacox, 1994, page 226; Colussi, Morton, et al., 1974; Morton, Preston, et al., 1978
References
Go To: Top, Gas phase thermochemistry data, Reaction 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]
Miller, Miller, et al., 1995
Miller, A.E.S.; Miller, T.M.; Viggiano, A.A.; Morris, R.A.; Vandoren, J.M.; Arnold, S.T.; Paulson, J.,
Negative ion chemistry of SF4,
J. Chem. Phys., 1995, 102, 22, 8865, https://doi.org/10.1063/1.468940
. [all data]
Viggiano, MIller, et al., 1991
Viggiano, A.A.; MIller, T.M.; Miller, A.E.S.; Morris, R.A.; Van Doren, J.M.; Paulson, J.F.,
SF4: Electron Affinity Determination by Charge Transfer Reactions,
Int. J. Mass Spectrom. Ion Proc., 1991, 109, 327, https://doi.org/10.1016/0168-1176(91)85112-Y
. [all data]
Babcock and Streit, 1981
Babcock, L.M.; Streit, G.E.,
Negative ion-molecule reactions of SF4,
J. Chem. Phys., 1981, 75, 3864. [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]
Harland and Thynne, 1971
Harland, P.W.; Thynne, J.C.J.,
Autodetachment lifetimes, attachment cross sections, and negative ions formed by sulfur hexafluoride and sulfur tetrafluoride,
J. Phys. Chem., 1971, 75, 3517. [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]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [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]
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]
Hassanzadeh and Andrews, 1992
Hassanzadeh, P.; Andrews, L.,
Matrix reactions of sulfur atoms and fluorine. Infrared spectra of sulfur monofluoride, sulfur difluoride and sulfur trifluoride in solid argon,
J. Phys. Chem., 1992, 96, 1, 79, https://doi.org/10.1021/j100180a018
. [all data]
Smardzewski and Fox, 1976
Smardzewski, R.R.; Fox, W.B.,
Photolysis of sulfur tetrafluoride in an argon matrix: infrared evidence for formation of the SF3· radical and SF2.,
J. Fluorine Chem., 1976, 7, 1-3, 353, https://doi.org/10.1016/S0022-1139(00)84007-5
. [all data]
Smardzewski and Fox, 1977
Smardzewski, R.R.; Fox, W.B.,
Vacuum ultraviolet photolysis of sulfur hexafluoride and its derivatives in argon matrices. The infrared spectrum of the SF5 radical,
J. Chem. Phys., 1977, 67, 5, 2309, https://doi.org/10.1063/1.435066
. [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]
Colussi, Morton, et al., 1974
Colussi, A.J.; Morton, J.R.; Preston, K.F.; Fessenden, R.W.,
ESR spectra of PF2 and SF3 radicals,
J. Chem. Phys., 1974, 61, 3, 1247, https://doi.org/10.1063/1.1682004
. [all data]
Morton, Preston, et al., 1978
Morton, J.R.; Preston, K.F.; Strach, S.J.,
The EPR spectrum of SF3 trapped in SF3BF4 crystals,
J. Chem. Phys., 1978, 69, 4, 1392, https://doi.org/10.1063/1.436766
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
EA Electron affinity 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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