Ferrocene

• Formula: C₁₀H₁₀Fe
• Molecular weight: 186.031
• IUPAC Standard InChI: InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H; Copy

  
• IUPAC Standard InChIKey: DFRHTHSZMBROSH-UHFFFAOYSA-N Copy
• CAS Registry Number: 102-54-5
• 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.
• Species with the same structure:
  • Ferrocene
• Other names: Bis(η-cyclopentadienyl) iron; Bis(cyclopentadienyl)iron; Di(π-cyclopentadienyl)iron; Di-2,4-cyclopentadien-1-yliron; Dicyclopentadienyl iron; Ferrotsen; Iron dicyclopentadienyl; Iron, bis(η5-2,4-cyclopentadien-1-yl)-; Iron, bis(η5-cyclopentadienyl); Iron bis(cyclopentadienide); NSC 2033; Catane
• Information on this page:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C₁₀H₁₀Fe⁺ +  = (C₁₀H₁₀Fe⁺ • )

By formula: C₁₀H₁₀Fe⁺ + C₁₀H₁₀Fe = (C₁₀H₁₀Fe⁺ • C₁₀H₁₀Fe)

Free energy of reaction

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.

Meot-Ner (Mautner), 1989
Meot-Ner (Mautner), M., Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics, J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014 . [all data]

Notes

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• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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