Bis(cyclopentadienyl)hafnium dichloride

• Formula: C₁₀H₁₀Cl₂Hf
• Molecular weight: 379.58
• IUPAC Standard InChI: InChI=1S/2C5H5.2ClH.Hf/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 Copy

  
• IUPAC Standard InChIKey: UHCOEQZUSAFLHQ-UHFFFAOYSA-L Copy
• CAS Registry Number: 12116-66-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Hafnocene dichloride; bis(η5-Cyclopentadienyl)hafnium dichloride; Hafnium, dichlorobis(η(5)-2,4-cyclopentadien-1-yl)-; Dichlorobis(η-cyclopentadienyl)hafnium; Dichlorodi-π-cyclopentadienylhafnium; Dichlorodicyclopentadienylhafnium; Dicyclopentadienylhafnium dichloride; Hafnium dicyclopentadiene dichloride; Hafnium, dichlorodi-π-cyclopentadienyl-; Bis(cyclopentadienyl)hafnium(IV) dichloride; NSC 102788; dichlorobis(η5-cyclopenta-2,4-dien-1-yl)hafnium
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

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]

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]

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

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]

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]

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

• 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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