Trifluorosilane


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
Δfgas-287.000kcal/molReviewChase, 1998Data last reviewed in June, 1976
Quantity Value Units Method Reference Comment
gas,1 bar66.267cal/mol*KReviewChase, 1998Data 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. - 1100.1100. - 6000.
A 8.26617224.93131
B 35.567810.492837
C -29.60069-0.098170
D 9.1305500.006721
E -0.116910-2.126011
F -291.1950-299.8829
G 66.2427188.60500
H -287.0000-287.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1976 Data last reviewed in June, 1976

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Reference Comment
4.80162.Emel«65533»us and Maddock, 1944Based on data from 156. - 168. K.; AC

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
121. - 178.4.4407648.678-32.493Stull, 1947Coefficents calculated by NIST from author's data.

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 by: John E. Bartmess

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Individual Reactions

F3Si- + Hydrogen cation = Trifluorosilane

By formula: F3Si- + H+ = HF3Si

Quantity Value Units Method Reference Comment
Δr358.1 ± 5.2kcal/molD-EAKawamata, Neigishi, et al., 1996gas phase; Vertical Detachment Energy: 2.76±0.05 eV.
Quantity Value Units Method Reference Comment
Δr350.4 ± 5.3kcal/molH-TSKawamata, Neigishi, et al., 1996gas phase; Vertical Detachment Energy: 2.76±0.05 eV.

Gas phase ion energetics 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
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.EIFarber and Srivastava, 1977LLK
14.0PECradock, Ebsworth, et al., 1973LLK
14.48 ± 0.05PEDemuth, 1977Vertical value; LLK
14.48 ± 0.02PECradock, Ebsworth, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
SiHF2+13.4 ± 0.3FEISharp and Margrave, 1969RDSH

De-protonation reactions

F3Si- + Hydrogen cation = Trifluorosilane

By formula: F3Si- + H+ = HF3Si

Quantity Value Units Method Reference Comment
Δr358.1 ± 5.2kcal/molD-EAKawamata, Neigishi, et al., 1996gas phase; Vertical Detachment Energy: 2.76±0.05 eV.; B
Quantity Value Units Method Reference Comment
Δr350.4 ± 5.3kcal/molH-TSKawamata, Neigishi, et al., 1996gas phase; Vertical Detachment Energy: 2.76±0.05 eV.; B

Vibrational and/or electronic energy levels

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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 by: Takehiko Shimanouchi

Symmetry:   C     Symmetry Number σ = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 SiH str 2316  B 2315.6 M gas
a1 2 SiF3 s-str 858  B 858.25 S gas
a1 3 SiF3 s-deform 425  B 425.2 M gas
e 4 SiF3 d-str 998  B 997.83 VS gas
e 5 SiH bend 844  B 843.6 S gas
e 6 SiF3 d-deform 306  B 306.2 M gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
B1~3 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, NIST Free Links, 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]

Emel«65533»us and Maddock, 1944
Emel«65533»us, H.J.; Maddock, A.G., 77. Derivatives of monosilane. Part III. The fluoromonosilanes, J. Chem. Soc., 1944, 293, https://doi.org/10.1039/jr9440000293 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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]

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]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume II, J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]


Notes

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