Bis(pentamethylcyclopentadienyl)iron


Phase change data

Go To: Top, Gas phase ion energetics data, 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 by: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub23.7 ± 0.57kcal/molMELousada, Pinto, et al., 2008 
Δsub23.1 ± 0.1kcal/molCKiyobayashi and Minas da Piedade, 2001 

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
22.9 ± 0.57365.MELousada, Pinto, et al., 2008Based on data from 355. to 376. K.

Gas phase ion energetics data

Go To: Top, Phase change data, 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:
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

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

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 152924

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Phase change data, 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.

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

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References