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Iron pentacarbonyl

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)833.0kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity798.5kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.897 ± 0.025PIPECONorwood, Ali, et al., 1990LL
8.4 ± 0.2EIClements and Sale, 1976LLK
7.98 ± 0.01PIDistefano, 1970RDSH
8.00 ± 0.08PELloyd and Schlag, 1969RDSH
7.96 ± 0.02PILloyd and Schlag, 1969RDSH
7.95 ± 0.03PIVilesov and Kurbatov, 1961RDSH
8.6PEHarada, Ohno, et al., 1983Vertical value; LBLHLM
8.60PEHead, Nixon, et al., 1975Vertical value; LLK
8.6PEBaerends, Oudshoorn, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
FeC+23.6 ± 0.3?EIBidinosti and McIntyre, 1967RDSH
CFeO+12.404COPIPECOFieber-Erdmann, Holub-Krappe, et al., 1995LL
CFeO+12.677 ± 0.0524COPIPECONorwood, Ali, et al., 1990LL
COFe+14.0 ± 0.24COEIClements and Sale, 1976LLK
FeCO+11.5 ± 0.14COPIDistefano, 1970RDSH
FeCO+13.764COEIJunk and Svec, 1968RDSH
FeCO+13.39 ± 0.074COEIBidinosti and McIntyre, 1967RDSH
FeCO+12.9 ± 0.14COEIFoffani, Pignataro, et al., 1965RDSH
FeCO+14.0 ± 0.24COEIWinters and Kiser, 1964RDSH
C2Fe+29.9 ± 0.5?EIConard and Sridhar, 1978LLK
C2FeO+20.2 ± 0.5?EIConard and Sridhar, 1978LLK
C2FeO2+10.883COPIPECOFieber-Erdmann, Holub-Krappe, et al., 1995LL
C2FeO2+10.876 ± 0.0483COPIPECONorwood, Ali, et al., 1990LL
C2FeO2+11.0 ± 0.23COEIClements and Sale, 1976LLK
FeC2O2+10.7 ± 0.13COPIDistefano, 1970RDSH
FeC2O2+11.123COEIJunk and Svec, 1968RDSH
FeC2O2+11.27 ± 0.053COEIBidinosti and McIntyre, 1967RDSH
FeC2O2+10.92 ± 0.043COEIFoffani, Pignataro, et al., 1965RDSH
FeC2O2+11.8 ± 0.23COEIWinters and Kiser, 1964RDSH
C3O2Fe+18.2 ± 0.5?EIConard and Sridhar, 1978LLK
C3FeO3+9.692COPIPECOFieber-Erdmann, Holub-Krappe, et al., 1995LL
C3FeO3+9.763 ± 0.0382COPIPECONorwood, Ali, et al., 1990LL
C3FeO3+10.1 ± 0.22COEIClements and Sale, 1976LLK
FeC3O3+9.9 ± 0.12COPIDistefano, 1970RDSH
FeC3O3+10.042COEIJunk and Svec, 1968RDSH
FeC3O3+10.01 ± 0.042COEIBidinosti and McIntyre, 1967RDSH
FeC3O3+9.89 ± 0.052COEIFoffani, Pignataro, et al., 1965RDSH
FeC3O3+10.3 ± 0.32COEIWinters and Kiser, 1964RDSH
C4FeO4+8.86COPIPECOFieber-Erdmann, Holub-Krappe, et al., 1995LL
C4FeO4+8.670 ± 0.030COPIPECONorwood, Ali, et al., 1990LL
C4FeO4+9.3 ± 0.2COEIClements and Sale, 1976LLK
FeC4O4+8.8 ± 0.1COPIDistefano, 1970RDSH
FeC4O4+9.10COEIPignataro and Lossing, 1968RDSH
Fe+14.595COPIPECOFieber-Erdmann, Holub-Krappe, et al., 1995LL
Fe+14.383 ± 0.0675COPIPECONorwood, Ali, et al., 1990LL
Fe+16.2 ± 0.25COEIClements and Sale, 1976LLK
Fe+14.2 ± 0.15COPIDistefano, 1970RDSH
Fe+15.995COEIJunk and Svec, 1968RDSH
Fe+15.3 ± 0.15COEIBidinosti and McIntyre, 1967RDSH
Fe+14.7 ± 0.15COEIFoffani, Pignataro, et al., 1965RDSH
Fe+16.1 ± 0.25COEIWinters and Kiser, 1964RDSH
FeO+22.5 ± 0.5?EIConard and Sridhar, 1978LLK


Go To: Top, 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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Norwood, Ali, et al., 1990
Norwood, K.; Ali, A.; Flesch, G.D.; Ng, C.Y., A photoelectron-photoion coincidence study of Fe(CO)5, J. Am. Chem. Soc., 1990, 112, 7502. [all data]

Clements and Sale, 1976
Clements, P.J.; Sale, F.R., A mass spectrometric study of nickel tetracarbonyl, iron pentacarbonyl and binary mixtures of these compounds, Metall. Trans. B:, 1976, 7, 171. [all data]

Distefano, 1970
Distefano, G., Photoionization study of Fe(CO)5 and Ni(CO)4, J. Res. NBS, 1970, 74A, 233. [all data]

Lloyd and Schlag, 1969
Lloyd, D.R.; Schlag, E.W., Photoionization studies of metal carbonyls. I. Ionization potentials and the bonding in group VI metal hexacarbonyls and in mononuclear carbonyls and nitrosyl carbonyls of iron, cobalt, and nickel, Inorg. Chem., 1969, 8, 2544. [all data]

Vilesov and Kurbatov, 1961
Vilesov, F.I.; Kurbatov, B.L., Photoionization of esters and metal carbonyis in the gaseous phase, Dokl. Akad. Nauk SSSR, 1961, 140, 1364, In original 792. [all data]

Harada, Ohno, et al., 1983
Harada, Y.; Ohno, K.; Mutoh, H., Penning ionization electron spectroscopy of CO and Fe(CO)5. Study of electronic structure of Fe(CO)5 from electron distribution of individual molecular orbitals, J. Chem. Phys., 1983, 79, 3251. [all data]

Head, Nixon, et al., 1975
Head, R.A.; Nixon, J.F.; Sharp, G.J.; Clark, R.J., Photoelectron spectroscopic study of metal trifluorophosphine and hydridotrifluorophosphine complexes, J. Chem. Soc. Dalton Trans., 1975, 2054. [all data]

Baerends, Oudshoorn, et al., 1975
Baerends, E.J.; Oudshoorn, Ch.; Oskam, A., Photoelectron spectra and X«alpha» calculations of iron pentacarbonyl and ethyleneiron tetracarbonyl, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 259. [all data]

Bidinosti and McIntyre, 1967
Bidinosti, D.R.; McIntyre, N.S., Electron-impact study of some binary metal carbonyls, Can. J. Chem., 1967, 45, 641. [all data]

Fieber-Erdmann, Holub-Krappe, et al., 1995
Fieber-Erdmann, M.; Holub-Krappe, E.; Broker, G.; Dujardin, G.; Ding, A., Fragmentation psectroscopy of photoionized Fe(CO)5: a molecular model for a heterogeneous cluster, Int. J. Mass Spectrom. Ion Processes, 1995, 149/150, 513. [all data]

Junk and Svec, 1968
Junk, G.A.; Svec, H.J., Energetics of the ionization and dissociation of Ni(CO)4, Fe(CO)5, Cr(CO)6, Mo(CO)6 and W(CO)6, Z. Naturforsch., 1968, 23b, 1. [all data]

Foffani, Pignataro, et al., 1965
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Mass spectra of metal hexacarbonyls, Z. Physik. Chem. (Frankfurt), 1965, 45, 79. [all data]

Winters and Kiser, 1964
Winters, R.E.; Kiser, R.W., A mass spectrometric investigation of nickel tetracarbonyl and iron pentacarbonyl, Inorg. Chem., 1964, 3, 699. [all data]

Conard and Sridhar, 1978
Conard, B.R.; Sridhar, R., Appearance potentials of ion fragments of iron pentacarbonyl, Can. J. Chem., 1978, 56, 2607. [all data]

Pignataro and Lossing, 1968
Pignataro, S.; Lossing, F.P., Thermal decomposition of organometallic compounds in the ion source of a mass spectrometer, J. Organometal. Chem., 1968, 11, 571. [all data]


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