Chromium,(η6-benzene)(η5-2,4-cyclopentadien-1-yl)-
- Formula: C11H11Cr
- Molecular weight: 195.2011
- IUPAC Standard InChI: InChI=1S/C6H6.C5H5.Cr/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-6H;1-5H;
- IUPAC Standard InChIKey: TXHJVSHWHVJQGV-UHFFFAOYSA-N
- CAS Registry Number: 12093-16-2
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.1 ± 0.1 | EI | Muller and Goser, 1968 | RDSH |
| 7.15 ± 0.05 | PE | Evans, Green, et al., 1974 | Vertical value; LLK |
| 6.2 ± 0.1 | PE | Evans, Green, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H5Cr+ | 9.3 ± 0.2 | ? | EI | Muller and Goser, 1968 | RDSH |
| Cr+ | 13.9 ± 0.3 | ? | EI | Muller and Goser, 1968 | RDSH |
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
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 153981 |
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.
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]
Evans, Green, et al., 1972
Evans, S.; Green, J.C.; Jackson, S.E.,
He(I) photoelectron spectra of some π-arene complexes,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 249. [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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