Bis(cyclopentadienyl)zirconium dichloride

• Formula: C₁₀H₁₀Cl₂Zr
• Molecular weight: 292.316
• IUPAC Standard InChI: InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 Copy

  
• IUPAC Standard InChIKey: QRUYYSPCOGSZGQ-UHFFFAOYSA-L Copy
• CAS Registry Number: 1291-32-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Zirconocene dichloride; Dicyclopentadienylzirconium dichloride; Zirconium, dichlorobis(η(5)-2,4-cyclopentadien-1-yl)-; Bis-π-cyclopentadienyldichlorozirconium; Dichlorobis(cyclopentadienyl) zirconium; Dichlorodi-π-cyclopentadienylzirconium; Dichlorodi-π-dicyclopentadienylzirconium; Dichlorodicyclopentadienylzirconium; Dichlorozirconocene; Dicyclopentadienyldichlorozirconium; Zirconcene dichloride; Zirconium dicyclopentadiene dichloride; Zirconium, dichlorobis(2,4-cyclopentadien-1-yl)-; Zirconium, dichlorodi-π-cyclopentadienyl-; Bis(cyclopentadienyl)dichlorozirconium; Dichlorobis(η5-2,4-cyclopentadien-1-yl)zirconium; NSC 93930; bis(3-cyclopentadienyl)dichlorozirconium
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
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Phase change data

Go To: Top, 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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Enthalpy of vaporization

Enthalpy of sublimation

Gas phase ion energetics data

Go To: Top, Phase change 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:
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

Mass spectrum (electron ionization)

Go To: Top, Phase change 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

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Additional Data

References

Go To: Top, 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.

KISER, DILLARD, et al., 2009
KISER, ROBERT W.; DILLARD, JOHN G.; DUGGER, DONALD L., Mass Spectrometry of Inorganic Halides, 2009, 153-180, https://doi.org/10.1021/ba-1968-0072.ch012 . [all data]

Diogo, Minas da Piedade, et al., 2001
Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Gonçalves, Jorge M.; Monte, Manuel J.S.; Ribeiro da Silva, Manuel A.V., Enthalpies of Sublimation of M(η5-C5H5)2Cl2 (M = Ti, Zr, Hf, V, Nb, W) Complexes, Eur. J. Inorg. Chem., 2001, 2001, 1, 257-262, https://doi.org/10.1002/1099-0682(20011)2001:1<257::AID-EJIC257>3.0.CO;2-2 . [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]

Kir'yanov, Tel'noi, et al., 1976
Kir'yanov, K.V.; Tel'noi, V.I.; Vasil'eva, G.A.; Rabinovich, I.B., Dokl. Akad. Nauk SSSR, 1976, 231, 1021. [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]

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]

Jeevan, Mathews, et al., 2008
Jeevan, T.S. Arul; Mathews, Tom; Raghunathan, V.S.; Nagaraja, K.S., Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato)zirconium(IV) and dichlorobis(η5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique, Thermochimica Acta, 2008, 478, 1-2, 41-44, https://doi.org/10.1016/j.tca.2008.08.010 . [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]

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, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization

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