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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

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C10H10Ni+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)935.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity907.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
6.24EQRyan, Eyler, et al., 1992T = 350K; LL
6.8 ± 0.1EIBegun and Compton, 1973LLK
6.2PERabalais, Werme, et al., 1972LLK
6.50 ± 0.25EIFlesch, Junk, et al., 1972LLK
6.8EISchissel, McAdoo, et al., 1968RDSH
7.2 ± 0.1EIMuller and D'Or, 1967RDSH
6.75EIFoffani, Pignataro, et al., 1967RDSH
6.51PEEvans, Green, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3Ni+16.7 ± 0.1?EIFlesch, Junk, et al., 1972LLK
C3H3Ni+17.2 ± 0.2?EIMuller and D'Or, 1967RDSH
C5H5Ni+12.6 ± 0.2?EIBegun and Compton, 1973LLK
C5H5Ni+13.00 ± 0.25C5H5EIFlesch, Junk, et al., 1972LLK
C5H5Ni+12.4?EISchissel, McAdoo, et al., 1968RDSH
C5H5Ni+12. ± 1.?EIPignataro and Lossing, 1967RDSH
C5H5Ni+12.6 ± 0.1?EIMuller and D'Or, 1967RDSH
C8H8Ni+12.6 ± 0.1C2H2EIFlesch, Junk, et al., 1972LLK
C8H8Ni+12.2 ± 0.1?EIMuller and D'Or, 1967RDSH
C10H10+13.3 ± 0.5NiEIFlesch, Junk, et al., 1972LLK
Ni+13.9 ± 0.4(C5H5)2EIBegun and Compton, 1973LLK
Ni+13.00 ± 0.25(C5H5)2EIFlesch, Junk, et al., 1972LLK
Ni+13.6?EISchissel, McAdoo, et al., 1968RDSH
Ni+13.7 ± 0.2?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]

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]

Schissel, McAdoo, et al., 1968
Schissel, P.; McAdoo, D.J.; Hedaya, E.; McNeil, D.W., Flash vacuum pyrolysis. III. Formation and ionization of cyclopentadienyl, cyclopentadienyl nickel, and dihydrofulvalene (dicyclopentadienyl) derived from nickelocene, J. Chem. Phys., 1968, 49, 5061. [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]

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]

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]

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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