Silicon tetrafluoride
- Formula: F4Si
- Molecular weight: 104.0791
- IUPAC Standard InChIKey: ABTOQLMXBSRXSM-UHFFFAOYSA-N
- CAS Registry Number: 7783-61-1
- 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, tetrafluoro-; Silicon fluoride (SiF4); Tetrafluorosilane; SiF4; Silicon fluoride; UN 1859
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry 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 | -386.0 ± 0.2 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -385.980 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 67.58 ± 0.12 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 67.579 | 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 1000. | 1000. to 6000. |
---|---|---|
A | 10.27390 | 25.63870 |
B | 38.06891 | 0.112718 |
C | -36.12271 | -0.023413 |
D | 12.33420 | 0.001654 |
E | -0.102065 | -1.287970 |
F | -390.7839 | -397.3059 |
G | 69.58521 | 93.00949 |
H | -385.9799 | -385.9799 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1976 | Data last reviewed in June, 1976 |
Reaction thermochemistry 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
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
By formula: F- + F4Si = (F- • F4Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | >29.10 ± 0.50 | kcal/mol | N/A | Kawamata, Neigishi, et al., 1996 | gas phase; B |
ΔrH° | 68.0 ± 5.0 | kcal/mol | IMRB | Murphy and Beauchamp, 1977 | gas phase; Fluoride Affinity: <BF3, >iPr2BF; B |
ΔrH° | 60.0 ± 4.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | 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 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 54.1 ± 4.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | 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 |
ΔrG° | 51. | kcal/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(F-)H2O, DG+-2. kcal/mol; 70 ARS/YAM; M |
By formula: CN- + F4Si = (CN- • F4Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.2 ± 1.0 | kcal/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30. | cal/mol*K | N/A | Larson, Szulejko, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 18.30 ± 0.50 | kcal/mol | IMRE | Larson, Szulejko, et al., 1988 | gas phase; B,M |
By formula: Cl- + F4Si = (Cl- • F4Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.4 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
C6H5NO2- + = C6H5F4NO2Si-
By formula: C6H5NO2- + F4Si = C6H5F4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.0 ± 2.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.50 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4FNO2- + F4Si = C6H4F5NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.0 ± 2.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.90 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4ClNO2- + F4Si = C6H4ClF4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.0 ± 2.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.00 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C7H7NO2- + = C7H7F4NO2Si-
By formula: C7H7NO2- + F4Si = C7H7F4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.0 ± 3.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.60 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
+ = C6H4F4O2Si-
By formula: C6H4O2- + F4Si = C6H4F4O2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 24.0 ± 2.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 13.20 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.0 ± 1.0 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.20 ± 0.60 | kcal/mol | TDAs | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: F5Si- + F4Si = F9Si2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 ± 2.0 | kcal/mol | IMRE | Hiraoka, Nasu, et al., 2000 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.13 | kcal/mol | IMRE | Hiraoka, Nasu, et al., 2000 | gas phase; B |
By formula: C6H4FNO2- + F4Si = C6H4F5NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 12.50 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4ClNO2- + F4Si = C6H4ClF4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 11.70 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4FNO2- + F4Si = C6H4F5NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 12.50 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4ClNO2- + F4Si = C6H4ClF4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 13.60 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C7H7NO2- + = C7H7F4NO2Si-
By formula: C7H7NO2- + F4Si = C7H7F4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 15.20 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C7H7NO2- + = C7H7F4NO2Si-
By formula: C7H7NO2- + F4Si = C7H7F4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 15.70 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.20 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4N2O4- + F4Si = C6H4F4N2O4Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 8.20 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C6H4NO3- + = C6H4F4NO3Si-
By formula: C6H4NO3- + F4Si = C6H4F4NO3Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 13.70 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4BrNO2- + F4Si = C6H4BrF4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 11.30 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C6H4BrNO2- + F4Si = C6H4BrF4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 11.70 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C7H4F3NO2- + F4Si = C7H4F7NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 10.60 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C10H7NO2- + F4Si = C10H7F4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 10.20 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C7H4F3NO2- + F4Si = C7H4F7NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.60 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C7H4N2O2- + F4Si = C7H4F4N2O2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.20 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C8H3F6NO2- + F4Si = C8H3F10NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.30 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C8H9NO2- + = C8H9F4NO2Si-
By formula: C8H9NO2- + F4Si = C8H9F4NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 19.80 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C13H10O- + = C13H10F4OSi-
By formula: C13H10O- + F4Si = C13H10F4OSi-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 22.00 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C7H4F3NO2- + F4Si = C7H4F7NO2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 10.90 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
C6H4NO3- + = C6H4F4NO3Si-
By formula: C6H4NO3- + F4Si = C6H4F4NO3Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 13.90 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
By formula: C7H4N2O2- + F4Si = C7H4F4N2O2Si-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 9.50 ± 0.60 | kcal/mol | IMRE | Williamson, Knighton, et al., 2001 | gas phase; at 150 C; B |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L.,
Methyl and Fluorine Substituent Effects on the Gas Phase Lewis Acidities of Silanes by ICR Spectroscopy,
J. Am. Chem. Soc., 1977, 99, 15, 4992, https://doi.org/10.1021/ja00457a017
. [all data]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [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]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ion cyclotron resonance halide-exchange equilibria,
J. Phys. Chem., 1984, 88, 1083. [all data]
Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B.,
Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements.,
J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004
. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Williamson, Knighton, et al., 2001
Williamson, D.H.; Knighton, W.B.; Grimsrud, E.P.,
Lewis acid-base interactions of SiF4 with molecular anions formed by electron capture reactions,
Int. J. Mass Spectrom., 2001, 206, 1-2, 53-61, https://doi.org/10.1016/S1387-3806(00)00388-2
. [all data]
Hiraoka, Nasu, et al., 2000
Hiraoka, K.; Nasu, M.; Minamitsu, A.; Shimizu, A.; Yamabe, S.,
On the structure and stability of gas-phase cluster ions SiF3+(CO)(n), SiF3OH2+(SiF4)(n), SiF4H+(SiF4)(n), and F- (SiF4)(n),
J. Phys. Chem. A, 2000, 104, 36, 8353-8359, https://doi.org/10.1021/jp000525d
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
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 ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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