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

Nickelocene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, References, Notes

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

References

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]


Notes

Go To: Top, Gas phase ion energetics data, References