Titanium, trichlorocyclopentadienyl-

Formula: C₅H₅Cl₃Ti
Molecular weight: 219.319
IUPAC Standard InChI: InChI=1S/C5H5.3ClH.Ti/c1-2-4-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
IUPAC Standard InChIKey: AENCLWKVWIIOQH-UHFFFAOYSA-K
CAS Registry Number: 1270-98-0
Chemical structure:
This structure is also available as a 2d Mol file
Other names: η5-Cyclopentadienyltitanium trichloride; Cyclopentadienyltitanium trichloride; π-Cyclopentadienyltitanium trichloride; Cyclopentadiene titanium trichloride; Cyclopentadienyltrichlorotitanium; Titanium, trichloro(η5-2,4-cyclopentadien-1-yl)-; Titanium, trichloro-π-cyclopentadienyl-; Trichloro(cyclopentadienyl)titanium; Trichloro-π-cyclopentadienyltitanium; Cyclopentadienyltitanium(IV) trichloride; Trichloro(cyclopentyldienyl)titanium
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Phase change data

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Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	104.6 ± 8.4	kJ/mol	N/A	Pilcher and Skinner, 1983	See also Tel'noi and Rabinovich, 1977.; AC
Δ_subH°	89.1 ± 0.8	kJ/mol	CC-SB	Balducci, Bardi, et al., 1977	MS

Enthalpy of sublimation

Δ_subH (kJ/mol)	Temperature (K)	Method	Reference	Comment
89.8	379.	A	Stephenson and Malanowski, 1987	Based on data from 354. to 404. K.; AC

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

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.1	PE	Terpstra, Louwen, et al., 1984	LBLHLM
9.79	PE	Terpstra, Louwen, et al., 1984	Vertical value; LBLHLM

References

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Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Thermochemistry of organic compounds of transition metals, Usp. Khim., 1977, 46, 8, 1337. [all data]

Balducci, Bardi, et al., 1977
Balducci, G.; Bardi, G.; de Maria, G.; Gigli, R., VII All-Union Calorimetry Conference, Moscow, 1977. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Terpstra, Louwen, et al., 1984
Terpstra, A.; Louwen, J.N.; Oskam, A.; Teuben, J.H., The He(I) and He(II) photoelectron spectra of some η5-cyclopentadienyl-titanium,-zirconium and -hafnium trihalide complexes, J. Organomet. Chem., 1984, 260, 207. [all data]

Notes

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Symbols used in this document:

Δ_subH Enthalpy of sublimation

Δ_subH° Enthalpy of sublimation at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions