Silicon tetrachloride

• Formula: Cl₄Si
• Molecular weight: 169.898
• IUPAC Standard InChI: InChI=1S/Cl4Si/c1-5(2,3)4 Copy

  
• IUPAC Standard InChIKey: FDNAPBUWERUEDA-UHFFFAOYSA-N Copy
• CAS Registry Number: 10026-04-7
• 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, tetrachloro-; Silicon chloride (SiCl4); Tetrachlorosilane; Tetrachlorosilicon; SiCl4; Silicon chloride; Silicon(IV) chloride; Chlorid kremicity; Extrema; Silicio(tetracloruro di); Siliciumtetrachlorid; Siliciumtetrachloride; Silicium(tetrachlorure de); Tetrachlorure de silicium; UN 1818; SIC-L(TM)
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• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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

 +  = ( • )

By formula: Cl^- + Cl₄Si = (Cl^- • Cl₄Si)

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
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

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 by: John E. Bartmess

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: Cl^- + Cl₄Si = (Cl^- • Cl₄Si)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLUTION (2% IN CCl4 FOR 700-500 CM^-1); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY; 2 cm^-1 resolution

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

• liquid; Bruker Tensor 27 FTIR; 0.4821395 cm^-1 resolution

Mass spectrum (electron ionization)

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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

Spectrum

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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:   T_d     Symmetry Number σ = 12

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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Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, 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]

Hao, Kaspar, et al., 2005
Hao, C.T.; Kaspar, J.D.; Check, C.E.; Lobring, K.C.; Gilbert, T.M.; Sunderlin, L.S., Effect of substituents on the strength of A-Cl- (A = Si, Ge, and Sn) bonds in hypervalent systems: ACl(5)(-), ACl(4)F(-), and A(CH3)(3)Cl-2(-), J. Phys. Chem. A, 2005, 109, 9, 2026-2034, https://doi.org/10.1021/jp040743x . [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]

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]

Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R., Photoelectron spectra of halides. Part I. Tetrafluorides and tetrachlorides of group IVB, J. Chem. Soc., 1971, (A), 641. [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., (p→>d)π Bonding in halosilanes; evidence from photoelectron spectroscopy, Chem. Phys. Lett., 1971, 10, 347. [all data]

Ihle, Wu, et al., 1978
Ihle, H.R.; Wu, C.H.; Miletic, M.; Zmbov, K.F., Mass spectrometric studies of gas species in the systems Si-Cl and Si-Li, Adv. Mass Spectrom., 1978, 7, 670. [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 I, National Bureau of Standards, 1972, 1-160. [all data]

Kreshkov, Kirichenko, et al., 1975
Kreshkov, A.P.; Kirichenko, É.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 1975, 30, 2, 286-289. [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]

Yu and Yang, 2005
Yu, X.; Yang, D., Predicting the Kovats retention index for alkoxyl silicon chlorides and sulfides on stationary phases of different polarity, Fenxi Huaxue, 2005, 33, 1, 101-105. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization 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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