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;
- IUPAC Standard InChIKey: KNKUGQPSSFEUGI-UHFFFAOYSA-N
- CAS Registry Number: 12093-81-1
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Cr(η-C7H7)(η-C5H5)
- Information on this page:
- Other data available:
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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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 5.4 | PE | Davies, Gardiner, et al., 1985 | LBLHLM |
| 6.0 ± 0.1 | EI | Muller and Goser, 1968 | RDSH |
| 5.61 | PE | Davies, Gardiner, et al., 1985 | Vertical value; LBLHLM |
| 5.59 ± 0.05 | PE | Evans, Green, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H5Cr+ | 10.4 ± 0.6 | ? | EI | Muller and Goser, 1968 | RDSH |
| C10H10Cr+ | 12.2 | C2H2 | EI | Muller and Goser, 1968 | RDSH |
| Cr+ | 12.2 ± 0.3 | ? | EI | Muller and Goser, 1968 | RDSH |
References
Go To: Top, Gas phase ion energetics data, 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, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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