Trichlorosilane

• Formula: Cl₃HSi
• Molecular weight: 135.452
• IUPAC Standard InChI: InChI=1S/Cl3HSi/c1-4(2)3/h4H Copy

  
• IUPAC Standard InChIKey: ZDHXKXAHOVTTAH-UHFFFAOYSA-N Copy
• CAS Registry Number: 10025-78-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Silane, trichloro
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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

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

Cl₃Si^- +  =

By formula: Cl₃Si^- + H⁺ = HCl₃Si

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

Appearance energy determinations

De-protonation reactions

Cl₃Si^- +  =

By formula: Cl₃Si^- + H⁺ = HCl₃Si

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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_3ν     Symmetry Number σ = 3

Source: Shimanouchi, 1972

Notes

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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References

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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]

Pabst, Margrave, et al., 1977
Pabst, R.E.; Margrave, J.L.; Franklin, J.L., Electron impact studies of the tetrachlorides and tetrabromides of silicon and germanium, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 361. [all data]

Nicholson and Rademacher, 1974
Nicholson, D.G.; Rademacher, P., Photoelectron spectra and electronic structures of antimony(III) halides, Acta Chem. Scand. Ser. A:, 1974, 28, 1136. [all data]

Frost, Herring, et al., 1971
Frost, D.C.; Herring, F.G.; Katrib, A.; McLean, R.A.N.; Drake, J.E.; Westwood, N.P.C., Photoelectron spectra and bonding in some halosilanes, Can. J. Chem., 1971, 49, 4033. [all data]

Potzinger, Ritter, et al., 1975
Potzinger, P.; Ritter, A.; Krause, J., Massenspektrometrische Bestimmung von Bindungsenergien in siliciumorganischen Verbindungen, Z. Naturforsch. A:, 1975, 30, 347. [all data]

Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A., The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact, J. Am. Chem. Soc., 1962, 84, 4441. [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]

Ainshtein and Shulyatieva, 1972
Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 1972, 27, 816-821. [all data]

Garzó, Fekete, et al., 1967
Garzó, G.; Fekete, J.; Blazsó, M., Determination of the gas chromatographic retention indices of various organometallic compounds, Acta Chim. Acad. Sci. Hung., 1967, 51, 4, 359-369. [all data]

Notes

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• 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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