Titanium tetrachloride

Formula: Cl₄Ti
Molecular weight: 189.679
IUPAC Standard InChI: InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4
IUPAC Standard InChIKey: XJDNKRIXUMDJCW-UHFFFAOYSA-J
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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Other data available:
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 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

EA (eV)	Method	Reference	Comment
2.88 ± 0.15	NBIE	Mathur, Rothe, et al., 1979	B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
11.5	PE	Bancroft, Pellach, et al., 1982	LBLHLM
11.65 ± 0.15	EI	Kiser, Dillard, et al., 1969	RDSH
11.69	PE	Bancroft, Pellach, et al., 1982	Vertical value; LBLHLM
11.76	PE	Egdell and Orchard, 1978	Vertical value; LLK
11.70	PE	Burroughs, Evans, et al., 1974	Vertical value; LLK
11.7	PE	Green, Green, et al., 1970	Vertical value; RDSH
11.78 ± 0.04	PE	Cox, Evans, et al., 1970	Vertical value; RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
TiCl⁺	20.6 ± 0.3	?	EI	Kiser, Dillard, et al., 1969	RDSH
TiCl₂⁺	16.7 ± 0.3	?	EI	Kiser, Dillard, et al., 1969	RDSH
TiCl₃⁺	13.3 ± 0.3	Cl	EI	Kiser, Dillard, et al., 1969	RDSH
Ti⁺	25.0 ± 0.3	4Cl	EI	Kiser, Dillard, et al., 1969	RDSH

References

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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]

Notes

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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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