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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 187. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 259. | K | N/A | Booth and Swinehart, 1935 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 36.6600 | atm | N/A | Booth and Swinehart, 1935 | Uncertainty assigned by TRC = 0.0499 atm; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
163.16 to 186.91 | 8.37195 | 1643.698 | 18.344 | Pace and Mosser, 1963 | Coefficents calculated by NIST from author's data. |
129. to 178.3 | 7.10407 | 1220.564 | -6.884 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.17 | 148. to 183. | Patnode and Papish, 1929 | AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 15.24 ± 0.14 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 120.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 113.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | -32.1 ± 1.7 | kcal/mol | N/A | N/A |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
117.6 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
117.8 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
111.3 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
111.5 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
Protonation entropy at 298K
Protonation entropy (cal/mol*K) | Reference | Comment |
---|---|---|
4.9 | Ling, Milburn, et al., 1999 | T = 298K; MM |
4.9 | Ling, Milburn, et al., 1999 | T = 298K; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
15.29 ± 0.08 | END | Kickel, Fisher, et al., 1993 | LL |
15.19 | PI | Murphy and Beauchamp, 1977, 2 | LLK |
15. ± 1. | EI | Farber and Srivastava, 1977 | LLK |
15.7 | PE | Lloyd and Roberts, 1975 | LLK |
15.81 ± 0.02 | PE | Bassett and Lloyd, 1971 | LLK |
15.92 | PE | Bull, Pullen, et al., 1970 | RDSH |
15.7 ± 0.1 | EI | McDonald, Williams, et al., 1968 | RDSH |
16.4 | PE | Bieri, Asbrink, et al., 1982 | Vertical value; LBLHLM |
16.5 | PE | Lloyd and Roberts, 1975 | Vertical value; LLK |
16.45 | PE | Fehlner and Turner, 1974 | Vertical value; LLK |
16.46 ± 0.04 | PE | Jonas, Schweitzer, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
SiF+ | 28.8 ± 0.1 | ? | EI | McDonald, Williams, et al., 1968 | RDSH |
SiF2+ | 27.4 ± 0.1 | ? | EI | McDonald, Williams, et al., 1968 | RDSH |
F3Si+ | 16.21 ± 0.18 | F | END/DER | Kickel, Fisher, et al., 1993 | LL |
SiF3+ | 16.2 ± 0.1 | F? | EI | McDonald, Williams, et al., 1968 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: 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: 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: 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: 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 |
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 |
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: 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: 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 |
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 |
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: 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: 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 |
+ = 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 |
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: 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 |
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: 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° | 9.50 ± 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 |
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 |
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 |
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 |
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 |
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: 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 |
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: 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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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
Spectrum
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 1336 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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
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Methyl and Fluorine Substituent Effects on the Gas Phase Lewis Acidities of Silanes by ICR Spectroscopy,
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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,
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Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
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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,
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Williamson, D.H.; Knighton, W.B.; Grimsrud, E.P.,
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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),
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature 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 ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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