Titanium tetrachloride

• Formula: Cl₄Ti
• Molecular weight: 189.679
• IUPAC Standard InChI: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4 Copy

  
• IUPAC Standard InChIKey: XJDNKRIXUMDJCW-UHFFFAOYSA-J Copy
• CAS Registry Number: 7550-45-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: TiCl4; Titanium chloride (TiCl4) (T-4)-; Titanium(IV) chloride; Titanic chloride; Titanium(IV)tetrachloride; Titanium chloride; Tetrachlorure de titane; Titaantetrachloride; Titantetrachlorid; UN 1838; Titanium chloride (TiCl4)
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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:
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
B - John E. Bartmess

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

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

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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.

Mathur, Rothe, et al., 1979
Mathur, E.P.; Rothe, E.W.; Reck, G.P., Negative ions from the reactions of alkalis with SnCl₄, GeCl₄, and TiCl⁴, Int. J. Mass Spectrom. Ion Phys., 1979, 31, 77. [all data]

Bancroft, Pellach, et al., 1982
Bancroft, G.M.; Pellach, E.; Tse, J.S., High resolution HeI and HeII photoelectron spectra of TiCl₄, SnCl₄, and (CH₃)₄Sn, Inorg. Chem., 1982, 21, 2950. [all data]

Kiser, Dillard, et al., 1969
Kiser, R.W.; Dillard, J.G.; Dugger, D.L., Mass spectrometry of inorganic halides, Advan. Chem. Ser., 1969, 72, 153. [all data]

Egdell and Orchard, 1978
Egdell, R.G.; Orchard, A.F., Photoelectron spectra of the group IVA halides, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 485. [all data]

Burroughs, Evans, et al., 1974
Burroughs, P.; Evans, S.; Hamnett, A.; Orchard, A.F.; Richardson, N.V., He-I photoelectron spectra of some d (0) transition metal compounds, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1895. [all data]

Green, Green, et al., 1970
Green, J.C.; Green, M.L.H.; Joachim, P.J.; Orchard, A.F.; Turner, D.W., A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy, Phil. Trans. Roy. Soc. (London), 1970, A268, III. [all data]

Cox, Evans, et al., 1970
Cox, P.A.; Evans, S.; Hamnett, A.; Orchard, A.F., The helium-(I) photoelectron spectrum of vanadium tetrachloride, Chem. Phys. Lett., 1970, 7, 414. [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

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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