Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Iron, tricarbonyl[(1,2,3,4-«eta»4)-1,3,5,7-cyclooctatetraene]-


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltafgas-152. ± 12.kJ/molReviewMartinho Simões 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, 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: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltafsolid-239. ± 11.kJ/molReviewMartinho Simões 

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltasub87.0 ± 4.0kJ/molN/APilcher and Skinner, 1983See also Connor, Demain, et al., 1979.; AC
Deltasub87.0 ± 4.0kJ/molTD-HFCConnor, Demain, et al., 1979, 2MS

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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
7.80 ± 0.10EIOpitz, Bruch, et al., 1994LL
7.3PEBohm and Gleiter, 1980LLK
7.80PEBohm and Gleiter, 1980Vertical value; LLK
7.84PEGreen, Powell, et al., 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H6Fe+11.54 ± 0.153CO+C2H2EIOpitz, Bruch, et al., 1994LL
C8H8Fe+9.90 ± 0.203COEIOpitz, Bruch, et al., 1994LL
C9H8FeO+8.53 ± 0.152COEIOpitz, Bruch, et al., 1994LL
C10H8FeO2+7.59 ± 0.20COEIOpitz, Bruch, et al., 1994LL
Fe+13.55 ± 0.153CO+C8H8EIOpitz, Bruch, et al., 1994LL

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 Japan AIST/NIMC Database- Spectrum MS-NW-7757
NIST MS number 238337

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [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]

Connor, Demain, et al., 1979
Connor, Joseph A.; Demain, Christopher P.; Skinner, Henry A.; Zafarani-Moattar, Mohammad T., Thermochemistry of «eta»3-Allyltricarbonyliodoiron, Tricarbonyl («eta»4-cyclooctatetraene)iron and Tetracarbonyldiiodoiron. The Enthalpy Contributions of Allyliron and Cyclooctatetraene-iron Bonds, Journal of Organometallic Chemistry, 1979, 170, 1, 117-130, https://doi.org/10.1016/S0022-328X(00)83195-2 . [all data]

Connor, Demain, et al., 1979, 2
Connor, J.A.; Demain, C.P.; Skinner, H.A.; Zafarani-Moattar, M.T., J. Orgnometal. Chem., 1979, 170, 117. [all data]

Opitz, Bruch, et al., 1994
Opitz, J.; Bruch, D.; VonBunau, G., Multiphoton excitation of tricarbonyl-cyclooctatetraene-iron. Wavelength-dependent competition between ionization and dissociation, Int. J. Mass Spectrom. Ion Processes, 1994, 135, 181. [all data]

Bohm and Gleiter, 1980
Bohm, M.C.; Gleiter, R., The electronic structure and the He(I) photoelectron spectrum of tricarbonylcyclooctatetraene-iron, Z. Naturforsch. B:, 1980, 35, 1028. [all data]

Green, Powell, et al., 1976
Green, J.C.; Powell, P.; Van Tilborg, J., He(I) photoelectron spectra of tricarbonyl-iron and -ruthenium complexes of cyclic dienes, and of tricarbonylcycloheptatriene- and tricarbonylcyclooctatetraene-iron, J. Chem. Soc. Dalton Trans., 1976, 1974. [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), References