Difluorooxosilane
- Formula: F2OSi
- Molecular weight: 82.0817
- IUPAC Standard InChI: InChI=1S/F2OSi/c1-4(2)3
- IUPAC Standard InChIKey: KSMSUXMVDODGKV-UHFFFAOYSA-N
- CAS Registry Number: 14041-22-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
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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 | -231.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1963 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 64.828 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1963 |
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 | 7.745041 | 19.66240 |
| B | 26.96360 | 0.116833 |
| C | -23.41150 | -0.023609 |
| D | 7.336760 | 0.001633 |
| E | -0.095121 | -1.223451 |
| F | -234.6350 | -240.2189 |
| G | 66.60251 | 83.63671 |
| H | -231.0000 | -231.0000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in September, 1963 | Data last reviewed in September, 1963 |
Reaction thermochemistry data
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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- + F2OSi = (F- • F2OSi)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 123.40 | kcal/mol | Ther | Damrauer, Simon, et al., 1991 | gas phase; Between HCO2H, HCl; B |
| ΔrH° | 102. ± 17. | 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 |
Ion clustering data
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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- + F2OSi = (F- • F2OSi)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 123.40 | kcal/mol | Ther | Damrauer, Simon, et al., 1991 | gas phase; Between HCO2H, HCl; B |
| ΔrH° | 102. ± 17. | 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 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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: Marilyn E. Jacox
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | Si=O stretch | 1309 | vs | Ar | IR | Schnockel, 1980 |
| 2 | SiF s-stretch | 835 | m | Ar | IR | Schnockel, 1980 | |
| 3 | SiF2 deform. | 423 | w m | Ar | IR | Schnockel, 1980 | |
| b1 | 4 | OPLA | 344 | s | Ar | IR | Schnockel, 1980 |
| b2 | 5 | SiF a-stretch | 996 | s | Ar | IR | Schnockel, 1980 |
| 6 | SiF2 rock | 333 | m | Ar | IR | Schnockel, 1980 | |
Additional references: Jacox, 1994, page 211
Notes
| w | Weak |
| m | Medium |
| s | Strong |
| vs | Very strong |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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]
Damrauer, Simon, et al., 1991
Damrauer, R.; Simon, R.; Krempp, M.,
Effect of Substituents on the Gas-Phase Acidity of Silanols,
J. Am. Chem. Soc., 1991, 113, 12, 4431, https://doi.org/10.1021/ja00012a009
. [all data]
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]
Schnockel, 1980
Schnockel, H.,
Matrixreaktion von SiO mit F2. IR-spektroskopischer nachweis von molekularem OSiF2,
J. Mol. Struct., 1980, 65, 115, https://doi.org/10.1016/0022-2860(80)85184-2
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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