Ionization energies shake

Table 28 Core Ionization and Shake-up Energies (eV) for Some Heterocycles (73M130102)...

Ionization energy Carbon (Is) Heteroatom (average) Shake- Heteroatom up energy Carbon (I5)... 

Fig. 48. Orbitals involved in the low energy shake up satellites accompanying core ionization in polystyrene, poly-l-vinylnaphthalene and polyvinylcarbazole...

Table 33 Core-ionization and shake-up energies (eV) for some heterocycles...

The square of the molecular orbital coefficient for the K L" state is summarized in Table I. Also shown, in parentheses, is the energy (eV) relative to the energy of the highest occupied molecular orbital (HOMO). Here the orbital components are expressed as the sum of the squares of the partial expansion coefficients and of the overlap populations for the orbitals. From Table 1 it is easily seen that the K L X-ray line is mainly composed of three components each separated by leV. The observed X-ray satellite spectra for MgF and NiFj are shown in the solid lines in Figs. 8 and 9. Fig. 8 shows spectra induced by 2 MeV He impact, and Fig. 9 by 84 MeV impact. These excitation conditions produce mostly direct Coulomb ionization, not shake ionization. The observed spectra are now deconvoluted into K L" components. The rather broad K L line is further deconvoluted into three molecular orbital components each separated by... 

In some cases, a valence electron can be completely ionized, resulting in vacancies in both the core and valence levels. In those cases, weak peaks referred to as shake-off satellites are also observed at binding energies a few electron volts higher than the photoelectron peak. Such cases are, however, not very common. 

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