Cobaltocene
- Formula: C10H10Co
- Molecular weight: 189.1196
- IUPAC Standard InChIKey: PXFGMRZPRDJDEK-UHFFFAOYSA-N
- CAS Registry Number: 1277-43-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: bis-(η5-Cyclopentadienyl) cobalt; Bis(cyclopentadienyl)cobalt; Cobalt, bis(η5-2,4-cyclopentadien-1-yl)-; Cobalt, di-π-cyclopentadienyl-; Dicyclopentadienylcobalt; Kobaltocen; Cobalt, bis(η5-cyclopentadienyl)-
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Gas phase thermochemistry 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: José A. Martinho Simões
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 309.0 ± 2.5 | kJ/mol | Review | Martinho Simões | |
ΔfH°gas | 277. ± 4. | kJ/mol | Review | Martinho Simões |
Phase change 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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 72.1 ± 0.1 | kJ/mol | CC-SB | Torres-Gómez, Barreiro-Rodríguez, et al., 1988 | Another value for the enthalpy of sublimation has been reported: 70.3 ± 4.2 kJ/mol Tel'noi, Kirynov, et al., 1975; MS |
ΔsubH° | 70.3 ± 4.2 | kJ/mol | N/A | Pilcher and Skinner, 1983 | See also Tel'noi, Kirynov, et al., 1975.; AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.238 | 93.5 | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1978 | Lambda transition between 70 to 120 K with a maximum at 93.5 K.; DH |
0.238 | 92. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda transition between 70 to 140 K with a maximum at 92 K.; DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.72 | 93.5 | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1978 | Lambda; DH |
2.73 | 92. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda; DH |
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:
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 |
---|---|---|---|
5.7 ± 0.2 | EI | Begun and Compton, 1973 | LLK |
6.0 ± 0.1 | EI | Puttemans and Hanson, 1971 | LLK |
6.0 ± 0.1 | EI | Pignataro and Lossing, 1967 | RDSH |
6.2 ± 0.1 | EI | Muller and D'Or, 1967 | RDSH |
5.55 | PE | Cauletti, Green, et al., 1980 | Vertical value; LLK |
5.56 | PE | Evans, Green, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H3Co+ | 17.5 ± 0.2 | ? | EI | Puttemans and Hanson, 1971 | LLK |
C3H3Co+ | 17.6 ± 0.1 | ? | EI | Muller and D'Or, 1967 | RDSH |
C5H5Co+ | 13.2 ± 0.2 | ? | EI | Puttemans and Hanson, 1971 | LLK |
C5H5Co+ | 12. ± 1. | ? | EI | Pignataro and Lossing, 1967 | RDSH |
C5H5Co+ | 14.0 ± 0.1 | ? | EI | Muller and D'Or, 1967 | RDSH |
Co+ | 14.10 ± 0.15 | ? | EI | Puttemans and Hanson, 1971 | LLK |
Co+ | 14.7 ± 0.2 | ? | EI | Muller and D'Or, 1967 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change 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.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Torres-Gómez, Barreiro-Rodríguez, et al., 1988
Torres-Gómez, L.A.; Barreiro-Rodríguez, G.; Méndez- Ruíz, F.,
Thermochim. Acta, 1988, 124, 179. [all data]
Tel'noi, Kirynov, et al., 1975
Tel'noi, V.I.; Kirynov, K.V.; Ermolaev, V.I.; Rabinovich, I.B.,
Dokl. Akad. Nauk SSSR, 1975, 220, 1088. [all data]
Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A.,
Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2
. [all data]
Rabinovich, Nistratov, et al., 1978
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacities of dicyclopentadienyl compounds of vanadium, chromium, manganese, cobalt, and nickel,
J. Chem. Thermodynam., 1978, 10, 523-536. [all data]
Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II,
Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]
Begun and Compton, 1973
Begun, G.M.; Compton, R.N.,
Electron impact ionization studies of ferrocene, cobaltocene, nickelocene, and magnesocene,
J. Chem. Phys., 1973, 58, 2271. [all data]
Puttemans and Hanson, 1971
Puttemans, J.-P.; Hanson, A.,
Etude energetique du ferrocene et du cobaltocene par impact electronique. Enthalpie de formation du radical cyclopentadienyle,
Ing. Chim. (Brussels), 1971, 53, 17. [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]
Muller and D'Or, 1967
Muller, J.; D'Or, L.,
Massenspektrometrische Untersuchungen an Dicyclopentadienylkomplexen von Ubergangsmetallen,
J.Organometal. Chem., 1967, 10, 313. [all data]
Cauletti, Green, et al., 1980
Cauletti, C.; Green, J.C.; Kelly, M.R.; Powell, P.; Van Tilborg, J.,
Photoelectron spectra of metallocenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 327. [all data]
Evans, Green, et al., 1974
Evans, S.; Green, M.L.H.; Jewitt, B.; King, G.H.; Orchard, A.F.,
Electronic structures of metal complexes containing the π-cyclopentadienyl and related ligands Part 2. He I photoelectron spectra of the open-shell metallocenes,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 356. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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