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 Copy

  
• IUPAC Standard InChIKey: AENCLWKVWIIOQH-UHFFFAOYSA-K Copy
• 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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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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.

Data compiled by: José A. Martinho Simões

Condensed 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.

Data compiled by: José A. Martinho Simões

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Enthalpy of sublimation

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

Ionization 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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Tel' noi, Rabinovich, et al., 1967
Tel' noi, V.I.; Rabinovich, I.B.; Tikhonov, V.D.; Latyaeva, V.N.; Vyshmskaya, L.I.; Razuvaev, G.A., Dokl. Akad. Nauk SSSR, 1967, 174, 1374. [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]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

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, 2
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:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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