Titanocene dichloride

• Formula: C₁₀H₁₀Cl₂Ti
• Molecular weight: 248.959
• IUPAC Standard InChI: InChI=1S/2C5H5.2ClH.Ti/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 Copy

  
• IUPAC Standard InChIKey: XKLWATAZDMHTSH-UHFFFAOYSA-L Copy
• CAS Registry Number: 1271-19-8
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Titanium, dichlorobis(η5-2,4-cyclopentadien-1-yl)-; Titanium, dichlorodi-π-cyclopentadienyl-; bis(η5-Cyclopentadienyl)titanium dichloride; Bis(π-cyclopentadienyl)titanium dichloride; Bis(cyclopentadienyl)titanium dichloride; Dichlorobis(π-cyclopentadienyl)titanium; Dichlorobis(cyclopentadienyl)titanium; Dichlorodi-π-cyclopentadienyltitanium; Dichlorodicyclopentadienyltitanium; Dichlorotitanocene; Dicyclopentadienyldichlorotitanium; Dicyclopentadienyltitanium dichloride; Bis(π-cyclopentadienyl)dichlorotitanium; Dichlorobis(η5-cyclopentadienyl)titanium; Dichlorobis(η5-2,4-cyclopentadien-1-yl)titanium; NCI-C04502; Titanium, bis(cyclopentadienyl)dichloride-; Bis(cyclopentadienyl)dichlorotitanium; Dichlorobis(1,3-cyclopentadiene)titanium; NSC 78453; dichlorobis(η-cyclopentadienyl)titanium
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to calorie-based units

Gas phase ion energetics data

Go To: Top, 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

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Gas phase ion energetics data, Notes

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

Dillard and Kiser, 1969
Dillard, J.G.; Kiser, R.W., The formation of gaseous ions from dicyclopentadienyltitanium dichloride and dicyclopentadienylzirconium dichloride upon electron impact, J. Organometal. Chem., 1969, 16, 265. [all data]

Bohm, 1982
Bohm, M.C., The photoelectron spectra of bis(cyclopentadienyl)titanium derivatives - a green's function approach, Inorg. Chim. Acta, 1982, 62, 171. [all data]

Cauletti, Clark, et al., 1980
Cauletti, C.; Clark, J.P.; Green, J.C.; Jackson, S.E.; Fragala, I.L.; Ciliberto, E.; Coleman, A.W., Photoelectron spectra of bis-cyclopentadienyl metal dihalides, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 61. [all data]

Condorelli, Fragala, et al., 1975
Condorelli, G.; Fragala, I.; Centineo, A.; Tondello, E., The electronic structure and photoelectron spectra of dichlorodi-π-cyclopentadienyl- titanium(IV), -zirconium(IV) and- hafnium(IV), J. Organomet. Chem., 1975, 87, 311. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Symbols used in this document:
  

  AE	Appearance energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.