Trifluorosilane
- Formula: F3HSi
- Molecular weight: 86.0886
- IUPAC Standard InChI: InChI=1S/F3HSi/c1-4(2)3/h4H
- IUPAC Standard InChIKey: WPPVEXTUHHUEIV-UHFFFAOYSA-N
- CAS Registry Number: 13465-71-9
- 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 | -287.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 66.267 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1976 |
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 1100. | 1100. to 6000. |
|---|---|---|
| A | 8.266172 | 24.93131 |
| B | 35.56781 | 0.492837 |
| C | -29.60069 | -0.098170 |
| D | 9.130550 | 0.006721 |
| E | -0.116910 | -2.126011 |
| F | -291.1950 | -299.8829 |
| G | 66.24271 | 88.60500 |
| H | -287.0000 | -287.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1976 | Data last reviewed in June, 1976 |
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 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 |
|---|---|---|---|
| 11. ± 1. | EI | Farber and Srivastava, 1977 | LLK |
| 14.0 | PE | Cradock, Ebsworth, et al., 1973 | LLK |
| 14.48 ± 0.05 | PE | Demuth, 1977 | Vertical value; LLK |
| 14.48 ± 0.02 | PE | Cradock, Ebsworth, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| SiHF2+ | 13.4 ± 0.3 | F | EI | Sharp and Margrave, 1969 | RDSH |
De-protonation reactions
F3Si- + =
By formula: F3Si- + H+ = HF3Si
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 358.1 ± 5.2 | kcal/mol | D-EA | Kawamata, Neigishi, et al., 1996 | gas phase; Vertical Detachment Energy: 2.76±0.05 eV.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 350.4 ± 5.3 | kcal/mol | H-TS | Kawamata, Neigishi, et al., 1996 | gas phase; Vertical Detachment Energy: 2.76±0.05 eV.; B |
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]
Farber and Srivastava, 1977
Farber, M.; Srivastava, R.D.,
Mass spectrometric determination of the heats of formation of the silane fluorides,
Chem. Phys. Lett., 1977, 51, 307. [all data]
Cradock, Ebsworth, et al., 1973
Cradock, S.; Ebsworth, E.A.V.; Whiteford, R.A.,
Photoelectron spectra of some simple fluorosilanes,
J. Chem. Soc. Dalton Trans., 1973, 22, 2401. [all data]
Demuth, 1977
Demuth, R.,
Photoelektronenspektren von einigen Trihalogensilylphosphanen und -arsanen X3SiER2 (X = F, Cl; E = N, P, As; R = H, CH3),
Z. Naturforsch. B:, 1977, 32, 1252. [all data]
Sharp and Margrave, 1969
Sharp, K.G.; Margrave, J.L.,
Silicon-fluorine chemistry. VII. The reaction of silicon difluoride with hydrogen sulfide,
Inorg. Chem., 1969, 8, 2655. [all data]
Kawamata, Neigishi, et al., 1996
Kawamata, H.; Neigishi, Y.; Kishi, R.; Iwata, S.; Nakajima, A.; Kaya, K.,
Photoelectron Spectroscopy of Silicon-Fluorine Binary Cluster Anions (SinFm-),
J. Chem. Phys., 1996, 105, 13, 5369, https://doi.org/10.1063/1.472377
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 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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