Titanium tetrachloride
- Formula: Cl4Ti
- Molecular weight: 189.679
- 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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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: José A. Martinho Simões
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
4 (l) + (l) = (l) + 4( • 51.3) (solution)
By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4(HCl • 51.3H2O) (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -205.4 ± 4.2 | kJ/mol | RSC | Bradley and Hillyer, 1966 | Please also see Pedley and Rylance, 1977. |
By formula: 4C2H6O (l) + Cl4Ti (l) = C8H20O4Ti (l) + 4HCl (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 ± 0.4 | kJ/mol | RSC | Bradley and Hillyer, 1966 | Please also see Pedley and Rylance, 1977. |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes
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
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 |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
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: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 389 | B | 388 ia | gas | 389 | gas | Estimated from combination bands | |
e | 2 | Deg deform | 114 | B | 119 ia | gas | 114 | gas | Estimated from combination bands | |
f2 | 3 | Deg str | 498 | C | 498.5 | gas | 498 | gas | ||
f2 | 4 | Deg deform | 136 | C | 136 | gas | 136 | gas | ||
Source: Shimanouchi, 1972
Notes
ia | Inactive |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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.
Bradley and Hillyer, 1966
Bradley, D.C.; Hillyer, M.J.,
Trans. Faraday Soc., 1966, 62, 2367. [all data]
Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J.,
Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]
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, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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