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
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Options:
  • Switch to SI units

Phase change data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Reaction thermochemistry data

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

Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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

Ionization energy determinations

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Phase change data, Reaction thermochemistry 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.

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

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

• 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
• 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.