Chromium,(η⁷-cycloheptatrienylium)(η⁵-2,4-cyclopentadien-1-yl)-

• Formula: C₁₂H₁₂Cr
• Molecular weight: 208.2198
• IUPAC Standard InChI: InChI=1S/C7H7.C5H5.Cr/c1-2-4-6-7-5-3-1;1-2-4-5-3-1;/h1-7H;1-5H; Copy

  
• IUPAC Standard InChIKey: KNKUGQPSSFEUGI-UHFFFAOYSA-N Copy
• CAS Registry Number: 12093-81-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Chromate(1-), (η7-cycloheptatrienylium)(η5-2,4-cyclopentadien-1-yl)-
• Other names: Cr(η-C7H7)(η-C5H5)
• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Options:
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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
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, 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, 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.

Davies, Gardiner, et al., 1985
Davies, C.E.; Gardiner, I.M.; Green, J.C.; Green, M.L.H.; Hazel, N.J.; Grebenik, P.D.; Mtetwa, V.S.B.; Prout, K., Mono-η-cycloheptatrienyltitanium chemistry: Synthesis, molecular and electronic structures, and reactivity of the complexes [Ti(η-C₇H₇)L₂X] (L = tertiary phosphine, O- or N-donor ligand. X = Cl or alkyl), J. Chem. Soc. Dalton Trans., 1985, 669. [all data]

Muller and Goser, 1968
Muller, J.; Goser, P., Massenspektroskopische Untersuchungen an Ubergangsmetall-π-Komplexen mit funf-, sechs- und siebengliedrigen aromatischen Ringliganden, J. Organometal. Chem., 1968, 12, 163. [all data]

Evans, Green, et al., 1974
Evans, S.; Green, J.C.; Jackson, S.E.; Higginson, B., He(I) photoelectron spectra of some transition-metal sandwich complexes, J. Chem. Soc. Dalton Trans., 1974, 304. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy

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