Cobalt, dicarbonyl(η5-2,4-cyclopentadien-1-yl)-
- Formula: C7H5CoO2
- Molecular weight: 180.0466
- IUPAC Standard InChI: InChI=1S/C5H5.2CO.Co/c1-2-4-5-3-1;2*1-2;/h1-5H;;;
- IUPAC Standard InChIKey: HUSLGLMTBHLWKG-UHFFFAOYSA-N
- CAS Registry Number: 12078-25-0
- 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: Cobalt, dicarbonyl-π-cyclopentadienyl-; η5-Cyclopentadienylcobalt dicarbonyl; π-Cyclopentadienylcobalt dicarbonyl; π-Cyclopentadienyldicarbonylcobalt; Cyclopentadienylcobalt dicarbonyl; Cyclopentadienyldicarbonylcobalt; Dicarbonyl(η5-cyclopentadienyl)cobalt; Dicarbonyl-π-cyclopentadienyl cobalt; Dicarbonylcyclopentadienylcobalt; Cobalt cyclopentadienyl dicarbonyl; Dicarbonyl(η5-2,4-cyclopentadien-1-yl)cobalt
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Condensed phase thermochemistry data
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: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -40.4 ± 2.4 | kcal/mol | CC-SB | Chipperfield, Sneyd, et al., 1979 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; The enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979 |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.62 ± 0.10 | IMRB | McDonald and Schell, 1988 | EA between biacetyl and CS2.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.35 | PE | Lichtenberger, Calabro, et al., 1984 | LBLHLM |
| 7.8 ± 0.1 | EI | Pignataro and Lossing, 1967 | RDSH |
| 8.3 ± 0.2 | EI | Winters and Kiser, 1965 | RDSH |
| 7.59 | PE | Lichtenberger, Calabro, et al., 1984 | Vertical value; LBLHLM |
| 7.51 | PE | Dudeney, Green, et al., 1983 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CoCO+ | 16.5 ± 0.4 | ? | EI | Winters and Kiser, 1965 | RDSH |
| C3H3Co+ | 16.8 ± 0.3 | ? | EI | Winters and Kiser, 1965 | RDSH |
| C5H5Co+ | 10.8 ± 0.2 | 2CO | EI | Pignataro and Lossing, 1967 | RDSH |
| C5H5Co+ | 11.7 ± 0.2 | 2CO | EI | Winters and Kiser, 1965 | RDSH |
| C6H5OCo+ | 10.1 ± 0.2 | CO | EI | Winters and Kiser, 1965 | RDSH |
| Co+ | 16.8 ± 0.3 | ? | EI | Winters and Kiser, 1965 | RDSH |
References
Go To: Top, Condensed phase thermochemistry data, 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.
Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E.,
J. Organometal. Chem., 1979, 178, 177. [all data]
McDonald and Schell, 1988
McDonald, R.N.; Schell, P.L.,
Gas Phase Ligand Substitution Reactions with (OC)Fe(NO)2-, (OC)2Co(NO)-, (n3-C3H5)Co(CO)2-, (C3H5)Co(CO)3-, and CpCo(CO)2-,
Organomet., 1988, 7, 8, 1806, https://doi.org/10.1021/om00098a019
. [all data]
Lichtenberger, Calabro, et al., 1984
Lichtenberger, D.L.; Calabro, D.C.; Kellogg, G.E.,
Electronic structure and bonding characteristics of cyclopentadienyl d8 metal-ligand complexes. Core and valence ionization study of CpM(CO)2 Where M = Co and Rh and Cp = η5-C5H5 and η5-C5(CH3)5,
Organometallics, 1984, 3, 1623. [all data]
Pignataro and Lossing, 1967
Pignataro, S.; Lossing, F.P.,
Mass spectra and ionization potentials of C6H6CrC6H6 and C6H6Cr(CO)3,
J. Organometal. Chem., 1967, 10, 531. [all data]
Winters and Kiser, 1965
Winters, R.E.; Kiser, R.W.,
Ions produced in the mass spectrometer from cyclopentadienylmetal carbonyl compounds of cobalt, manganese and vanadium,
J. Organometal. Chem., 1965, 4, 190. [all data]
Dudeney, Green, et al., 1983
Dudeney, N.; Green, J.C.; Grebenik, P.; Kirchner, O.N.,
Synthesis and structural characterization of the electron rich complexes Co(η-C5Me5)(R2PCH2CH2PR2) (R = Me, Ph) photoelectron spectroscopic studies of some pentamethylcyclopentadienylphosphinecobalt complexes,
J. Organomet. Chem., 1983, 252, 221. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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