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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
L - 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

View reactions leading to C10H10Fe+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)6.71 ± 0.08eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)863.6kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity841.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
6.82EQRyan, Eyler, et al., 1992T = 350K; LL
6.61 ± 0.08PIBarfuss, Emrich, et al., 1990LL
6.9 ± 0.2EIBarfuss, Grade, et al., 1987LBLHLM
6.6PEGleiter, Bohm, et al., 1984LBLHLM
6.747 ± 0.009PIBar, Heinis, et al., 1982LBLHLM
6.9 ± 0.1EIBegun and Compton, 1973LLK
6.72PERabalais, Werme, et al., 1972LLK
6.75 ± 0.25EIFlesch, Junk, et al., 1972LLK
6.78 ± 0.05PIAdamchuk, Dmitriev, et al., 1972LLK
6.9 ± 0.1EIPuttemans and Hanson, 1971LLK
7.2 ± 0.1EIMuller and D'Or, 1967RDSH
6.97CTSHuttner and Fischer, 1967RDSH
6.99EIFoffani, Pignataro, et al., 1967RDSH
6.9PEGleiter, Bohm, et al., 1984Vertical value; LBLHLM
6.86PECauletti, Green, et al., 1980Vertical value; LLK
6.90PESymon and Waddington, 1975Vertical value; LLK
6.88PEEvans, Green, et al., 1974Vertical value; LLK
6.88PEEvans, Green, et al., 1972Vertical value; LLK
7.10PEPuttemans and Hanson, 1971Vertical value; LLK
~7.0PEEvans, Orchard, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3Fe+17.5 ± 0.3?PIBarfuss, Emrich, et al., 1990LL
C3H3Fe+18.06 ± 0.10?EIFlesch, Junk, et al., 1972LLK
C3H3Fe+17.8 ± 0.2?EIPuttemans and Hanson, 1971LLK
C3H3Fe+18.9 ± 0.1?EIMuller and D'Or, 1967RDSH
C5H5Fe+13.3 ± 0.1C5H5PIBarfuss, Emrich, et al., 1990LL
C5H5Fe+12.7 ± 0.3C5H5EIBarfuss, Grade, et al., 1987LBLHLM
C5H5Fe+13.162 ± 0.035C5H5PIBar, Heinis, et al., 1982LBLHLM
C5H5Fe+13.9 ± 0.2C5H5EIBegun and Compton, 1973LLK
C5H5Fe+12.95 ± 0.15C5H5EIPuttemans and Hanson, 1971LLK
C5H5Fe+13. ± 1.?EIPignataro and Lossing, 1967RDSH
C5H5Fe+13.8 ± 0.1?EIMuller and D'Or, 1967RDSH
C8H8Fe+13.2 ± 0.1C2H2PIBarfuss, Emrich, et al., 1990LL
C8H8Fe+13.3 ± 0.1?EIMuller and D'Or, 1967RDSH
C10H10+13.5 ± 0.1FePIBarfuss, Emrich, et al., 1990LL
C10H10+13.96 ± 0.10FeEIFlesch, Junk, et al., 1972LLK
Fe+14.3 ± 0.22C5H5PIBarfuss, Emrich, et al., 1990LL
Fe+14.7 ± 0.32C5H5EIBarfuss, Grade, et al., 1987LBLHLM
Fe+13.506 ± 0.0372C5H5PIBar, Heinis, et al., 1982LBLHLM
Fe+12.0 ± 1.52C5H5EIBegun and Compton, 1973LLK
Fe+14.00 ± 0.252C5H5EIFlesch, Junk, et al., 1972LLK
Fe+14.10 ± 0.152C5H5EIPuttemans and Hanson, 1971LLK
Fe+14.4 ± 0.5?EIMuller and D'Or, 1967RDSH


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]

Ryan, Eyler, et al., 1992
Ryan, M.F.; Eyler, J.R.; Richardson, D.E., Adiabatic ionization energies, bond disruption enthalpies, and solvation free energies for gas-phase metallocenes and metallocenium ions, J. Am. Chem. Soc., 1992, 114, 8611. [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]

Barfuss, Grade, et al., 1987
Barfuss, S.; Grade, M.; Hirschwald, W.; Rosinger, W., The stability and decomposition of gaseous chloroferrocenes, J. Vac. Sci. Technol. A:, 1987, 5, 1451. [all data]

Gleiter, Bohm, et al., 1984
Gleiter, R.; Bohm, M.C.; Ernst, R.D., The He(I) photoelectron spectrum of bis(pentadienyl)-iron: A comparison with the ferrocene spectrum, J. Electron Spectrosc. Relat. Phenom., 1984, 33, 269. [all data]

Bar, Heinis, et al., 1982
Bar, R.; Heinis, T.; Nager, C.; Jungen, M., Photoionization of ferrocene, Chem. Phys. Lett., 1982, 91, 440. [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]

Rabalais, Werme, et al., 1972
Rabalais, J.W.; Werme, L.O.; Bergmark, T.; Karlsson, L.; Hussain, M.; Siegbahn, K., Electron spectroscopy of open-shell systems: spectra of Ni(C5H5)2, Fe(C5H5)2, Mn(C5H5)2, and Cr(C5H5)Å2, J. Chem. Phys., 1972, 57, 1185. [all data]

Flesch, Junk, et al., 1972
Flesch, G.D.; Junk, G.A.; Svec, H.J., Ionization efficiency data and fragmentation mechanisms for ferrocene, nickelocene, and ruthenocene, J. Chem. Soc. Dalton Trans., 1972, 1102. [all data]

Adamchuk, Dmitriev, et al., 1972
Adamchuk, V.K.; Dmitriev, A.B.; Prudnikova, G.V.; Sorokin, L.S., Photoionization of low-volatility molecules in a Geiger counter, Opt. Spectrosc., 1972, 33, 191, In original 358. [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]

Muller and D'Or, 1967
Muller, J.; D'Or, L., Massenspektrometrische Untersuchungen an Dicyclopentadienylkomplexen von Ubergangsmetallen, J.Organometal. Chem., 1967, 10, 313. [all data]

Huttner and Fischer, 1967
Huttner, G.; Fischer, E.O., Uber Aromatenkomplexe von Metallen. XCVIII. Spectroskopische Untersuchungen an Charge-Transfer-Komplexen von Aromaten-Chrom Tricarbonylen mit 1,3,5-Trinitrobenzol, J. Organometal. Chem., 1967, 8, 299. [all data]

Foffani, Pignataro, et al., 1967
Foffani, A.; Pignataro, S.; Distefano, G.; Innorta, G., Influence of the ligand donor ability on the ionization potentials and fragmentation patterns of transition metal nitrosyl complexes, J. Organometal. Chem., 1967, 7, 473. [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]

Symon and Waddington, 1975
Symon, D.A.; Waddington, T.C., Valence-band photoelectron spectra of some dicarbonyl(«eta»-cyclopentadienyl)(ligand)iron compounds and tetrakis [carbonyl(«eta»-cyclopentadienyl)iron(1)], J. Chem. Soc. Dalton Trans., 1975, 2140. [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]

Evans, Green, et al., 1972
Evans, S.; Green, M.L.H.; Jewitt, B.; Orchard, A.F.; Pygall, C.F., Electronic structure of metal complexes containing «pi»-cyclopentadienyl and related ligands, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1847. [all data]

Evans, Orchard, et al., 1971
Evans, S.; Orchard, A.F.; Turner, D.W., A simple, medium resolution helium(I) photoelectron spectrometer, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 261. [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]


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