Bis(pentamethylcyclopentadienyl)iron


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 by: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub99.0 ± 2.4kJ/molMELousada, Pinto, et al., 2008 
Δsub96.8 ± 0.6kJ/molCKiyobayashi and Minas da Piedade, 2001 

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
95.7 ± 2.4365.MELousada, Pinto, et al., 2008Based on data from 355. to 376. K.

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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
5.8 ± 0.1PIBarfuss, Emrich, et al., 1990LL
6.2 ± 0.1EIBarfuss, Emrich, et al., 1990LL
5.88PECauletti, Green, et al., 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C19H26Fe+15.8 ± 0.2?EIBarfuss, Emrich, et al., 1990LL
C19H26Fe+14.8 ± 0.1?PIBarfuss, Emrich, et al., 1990LL
C19H27Fe+9.1 ± 0.2CH3EIBarfuss, Emrich, et al., 1990LL

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lousada, Pinto, et al., 2008
Lousada, Cláudio M.; Pinto, Susana S.; Canongia Lopes, José N.; Minas da Piedade, M. Fátima; Diogo, Hermínio P.; Minas da Piedade, Manuel E., Experimental and Molecular Dynamics Simulation Study of the Sublimation and Vaporization Energetics of Iron Metalocenes. Crystal Structures of Fe(η 5 -C 5 H 4 CH 3 ) 2 and Fe[(η 5 -(C 5 H 5 )(η 5 -C 5 H 4 CHO)], J. Phys. Chem. A, 2008, 112, 13, 2977-2987, https://doi.org/10.1021/jp7107818 . [all data]

Kiyobayashi and Minas da Piedade, 2001
Kiyobayashi, Tetsu; Minas da Piedade, Manuel E., The standard molar enthalpy of sublimation ofη5-bis-pentamethylcyclopentadienyl iron measured with an electrically calibrated vacuum-drop sublimation microcalorimetric apparatus, The Journal of Chemical Thermodynamics, 2001, 33, 1, 11-21, https://doi.org/10.1006/jcht.2000.0716 . [all data]

Barfuss, Emrich, et al., 1990
Barfuss, S.; Emrich, R.-H.; Hirschwald, W.; Dowben, P.A.; Boag, N.M., A mass spectrometric investigation of chloro-, bromo- and methyl-ferrocenes by electron and photon impact ionisation, J. Org. Chem., 1990, 391, 209. [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]


Notes

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