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The electronic structure of the chloroferrocenes (1986)

Driscoll, D. C. ; Dowben, P. A. ; Boag, N. M. ; [et al.]

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 85 (1986), S. 4802-4807

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: We have measured the ionization potentials of gaseous ferrocene and the symmetrically substituted chloroferrocenes, Fe(C5H5−NClN)2 (0≤N≤5) by electron impact techniques. The ionization potential is found to increase in direct proportion to the number of chlorine substitutions. These results indicate that chlorine ring substitutions result in greater overlap of the π-ring orbitals and the metal d orbitals. The binding energies of the unoccupied orbitals of ferrocene and 1,1'-dichloroferrocene have been inferred from photoabsorption studies. The effect of symmetric dichlorination on the splitting of the unoccupied 5e1g ferrocene molecular orbital is described.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.451713

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