Thiothionyl fluoride
- Formula: F2S2
- Molecular weight: 102.127
- IUPAC Standard InChI: InChI=1S/F2S2/c1-4(2)3
- IUPAC Standard InChIKey: KBYVSSUWTLBZTB-UHFFFAOYSA-N
- CAS Registry Number: 101947-30-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics data, Ion clustering data, NIST Free Links, 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
+
= (
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By formula: F- + F2S2 = (F- • F2S2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.0 ± 3.0 | kcal/mol | IMRB | Larson and McMahon, 1987 | gas 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,M |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Ion clustering data, NIST Free Links, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to F2S2+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.41 ± 0.02 | PI | Losking and Willner, 1985 | LBLHLM |
| 10.2 | PE | Cooper, Kroto, et al., 1984 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| FS+ | 14.53 | SF | PI | Losking and Willner, 1985 | LBLHLM |
| FS2+ | 12.30 ± 0.02 | F | PI | Losking and Willner, 1985 | LBLHLM |
| F2S+ | 13.30 ± 0.07 | S | PI | Losking and Willner, 1985 | LBLHLM |
| S+ | 14.3 ± 0.1 | SF2 | PI | Losking and Willner, 1985 | LBLHLM |
| S2+ | 15.42 ± 0.05 | 2F | PI | Losking and Willner, 1985 | LBLHLM |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
+
= (
•
)
By formula: F- + F2S2 = (F- • F2S2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 36.0 ± 3.0 | kcal/mol | IMRB | Larson and McMahon, 1987 | gas 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,M |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Losking and Willner, 1985
Losking, O.; Willner, H.,
Thermochemische daten und photoionisation-massenspektren von SSF2, FSSF, SF3SF und SF3SSF,
Z. Anorg. Allg. Chem., 1985, 530, 169. [all data]
Cooper, Kroto, et al., 1984
Cooper, T.A.; Kroto, H.W.; Kirby, C.; Westwood, N.P.C.,
A photoelectron spectroscopic study of the (FBS)n system (n = 1-3),
J. Chem. Soc. Dalton Trans., 1984, 1047. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, NIST Free Links, References
- Symbols used in this document:
AE Appearance energy ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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