Trimethylsilyl fluoride
- Formula: C3H9FSi
- Molecular weight: 92.1875
- IUPAC Standard InChI: InChI=1S/C3H9FSi/c1-5(2,3)4/h1-3H3
- IUPAC Standard InChIKey: CTIKAHQFRQTTAY-UHFFFAOYSA-N
- CAS Registry Number: 420-56-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Silane, fluorotrimethyl-; Fluorotrimethylsilane; Trimethylfluorosilane; Trimethylsilicon fluoride; (CH3)3SiF; Ffluorotrimethylsilane
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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
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 |
|---|---|---|---|
| 10.31 ± 0.04 | PI | Murphy and Beauchamp, 1977 | LLK |
| 10.55 ± 0.06 | EI | Hess, Lampe, et al., 1965 | RDSH |
| 11.0 | PE | Roberge, Sandorfy, et al., 1978 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H6FSi+ | 10.70 ± 0.04 | CH3 | PI | Murphy and Beauchamp, 1977 | LLK |
| C2H6FSi+ | 11.11 ± 0.05 | CH3 | EI | Hess, Lampe, et al., 1965 | RDSH |
| C3H9Si+ | 11.7 ± 0.5 | F-? | EI | Hess, Lampe, et al., 1965 | RDSH |
De-protonation reactions
C3H8FSi- + =
By formula: C3H8FSi- + H+ = C3H9FSi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 388.5 ± 4.7 | kcal/mol | G+TS | Allison and McMahon, 1990 | gas phase; Between H2O, HO.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 380.2 ± 4.6 | kcal/mol | IMRB | Allison and McMahon, 1990 | gas phase; Between H2O, HO.; B |
Gas Chromatography
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.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 437. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 416. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L.,
Photoionization mass spectrometry of the fluoromethylsilanes (CH3)n F4-nSi (n = 1-4),
J. Am. Chem. Soc., 1977, 99, 2085. [all data]
Hess, Lampe, et al., 1965
Hess, G.G.; Lampe, F.W.; Sommer, L.H.,
An electron impact study of ionization and dissociation of trimethylsilanes,
J. Am. Chem. Soc., 1965, 87, 5327. [all data]
Roberge, Sandorfy, et al., 1978
Roberge, R.; Sandorfy, C.; Matthews, J.I.; Strausz, O.P.,
The far ultraviolet HeI photoelectron spectra of alkyl and fluorine substituted silane derivatives,
J. Chem. Phys., 1978, 69, 5105. [all data]
Allison and McMahon, 1990
Allison, C.E.; McMahon, T.B.,
How Strong is the Si=C Bond in Fluoro- and Methyl Substituted Silaethylenes? An Experimental Determination of Pi Bond Strengths,
J. Am. Chem. Soc., 1990, 112, 5, 1672, https://doi.org/10.1021/ja00161a002
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N.,
Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety,
J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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