Titanium, dicarbonylbis(η5-2,4-cyclopentadien-1-yl)-

• Formula: C₁₂H₁₀O₂Ti
• Molecular weight: 234.074
• IUPAC Standard InChI: InChI=1S/2C5H5.2CO.Ti/c2*1-2-4-5-3-1;2*1-2;/h2*1-5H;;; Copy

  
• IUPAC Standard InChIKey: PGTLZCOZZVJMOQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 12129-51-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Titanium, dicarbonyldi-π-cyclopentadienyl-; Dicarbonylbis(π-cyclopentadienyl)titanium; Dicarbonylbis(cyclopentadienyl)titanium; Dicarbonyldi(η-cyclopentadienyl)titanium; Dicarbonyldi-π-cyclopentadienyltitanium; Titanium, dicarbonylbiscyclopentadienyl-; Titanium, dicarbonyldicyclopentadienyl-; Titanocene dicarbonyl; Titanium, bis(cyclopentadienyl)dicarbonyl-
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

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

 (cr) +  (cr) = C₁₀H₁₀I₂Ti (cr) + 2 (g)

By formula: C₁₂H₁₀O₂Ti (cr) + I₂ (cr) = C₁₀H₁₀I₂Ti (cr) + 2CO (g)

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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

References

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

Dias, Dias, et al., 1987
Dias, A.R.; Dias, P.B.; Diogo, H.P.; Galvão, A.M.; Minas da Piedade, M.E.; Martinho Simões, J.A., Organometallics, 1987, 6, 1427. [all data]

Dias, Dias, et al., 1987, 2
Dias, Alberto R.; Dias, Palmira B.; Diogo, Herminio P.; Galvao, Adelino M.; Minas da Piedade, Manuel E.; Simoes, Jose A. Martinho., Energetics of molybdenum-azobenzene, titanium-azobenzene, titanium-iodide, and titanium-carbonyl bonds in bis(cyclopentadienyl) complexes, Organometallics, 1987, 6, 7, 1427-1432, https://doi.org/10.1021/om00150a011 . [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]

Fragala, Ciliberto, et al., 1979
Fragala, I.; Ciliberto, E.; Thomas, J.L., He(I) and He(II) excited photoelectron spectra of cyclopentadienyldicarbonyltitanium(II), J. Organomet. Chem., 1979, 175, 25. [all data]

Notes

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• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH°	Enthalpy of sublimation at standard conditions

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