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Cobaltocene

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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
Deltafgas309.0 ± 2.5kJ/molReviewMartinho Simões 
Deltafgas277. ± 4.kJ/molReviewMartinho Simões 

Condensed 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 as indicated in comments:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid236.9 ± 2.5kJ/molReviewMartinho SimõesMS
Deltafsolid205. ± 4.kJ/molCC-SBChipperfield, Sneyd, et al., 1979Value 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.; MS
Quantity Value Units Method Reference Comment
Deltacsolid-5838.8 ± 2.1kJ/molCC-SBTel'noi, Kirynov, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Quantity Value Units Method Reference Comment
solid,1 bar236.0J/mol*KN/ARabinovich, Nistratov, et al., 1978DH
solid,1 bar236.1J/mol*KN/ARabinovich, Nistratov, et al., 1975DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
197.5298.15Rabinovich, Nistratov, et al., 1978T = 5 to 300 K.; DH
197.3298.15Rabinovich, Nistratov, et al., 1975T = 5 to 298.15 K.; DH

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
Deltasub72.1 ± 0.1kJ/molCC-SBTorres-Gómez, Barreiro-Rodríguez, et al., 1988Another value for the enthalpy of sublimation has been reported: 70.3 ± 4.2 kJ/mol Tel'noi, Kirynov, et al., 1975; MS
Deltasub70.3 ± 4.2kJ/molN/APilcher and Skinner, 1983See also Tel'noi, Kirynov, et al., 1975.; AC

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.23893.5crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1978Lambda transition between 70 to 120 K with a maximum at 93.5 K.; DH
0.23892.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda transition between 70 to 140 K with a maximum at 92 K.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.7293.5crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1978Lambda; DH
2.7392.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda; 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 ± 0.2EIBegun and Compton, 1973LLK
6.0 ± 0.1EIPuttemans and Hanson, 1971LLK
6.0 ± 0.1EIPignataro and Lossing, 1967RDSH
6.2 ± 0.1EIMuller and D'Or, 1967RDSH
5.55PECauletti, Green, et al., 1980Vertical value; LLK
5.56PEEvans, Green, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3Co+17.5 ± 0.2?EIPuttemans and Hanson, 1971LLK
C3H3Co+17.6 ± 0.1?EIMuller and D'Or, 1967RDSH
C5H5Co+13.2 ± 0.2?EIPuttemans and Hanson, 1971LLK
C5H5Co+12. ± 1.?EIPignataro and Lossing, 1967RDSH
C5H5Co+14.0 ± 0.1?EIMuller and D'Or, 1967RDSH
Co+14.10 ± 0.15?EIPuttemans and Hanson, 1971LLK
Co+14.7 ± 0.2?EIMuller and D'Or, 1967RDSH

Mass spectrum (electron ionization)

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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: 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 149245

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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]

Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E., J. Organometal. Chem., 1979, 178, 177. [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]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [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]

Torres-Gómez, Barreiro-Rodríguez, et al., 1988
Torres-Gómez, L.A.; Barreiro-Rodríguez, G.; Méndez- Ruíz, F., Thermochim. Acta, 1988, 124, 179. [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]

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 «pi»-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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, References