Charge transfer in endohedral complexes

In contrast to the case of molecules separated by a large distance, the charge transfer energies (44) are not simply equal to the respective differences between the ionization potentials and electron affinities. Instead, the suitably modified expressions for the complexation energy, Eqs.(39) and (40) are to be used. Let 1(G) and 1(H) be the ionization potentials of the guest and the host, respectively. Let A(G) and A(H) be the corresponding electron affinities. The conditions (44) become 

By neglecting the terms involving the dipole moments and taking into account that for the Ceo cluster 1(H) and A(H) equal 7.6 and 2.7 eV fsee Section 3.2), respectively, Vo is equal to 0.8 eV (see Table 2), (1/R) corresponds to 4.1 eV (see Section 3.1), and the monopole-monopole polarizability is close to 1.0 eV (see Section 5.2), one arrives at the conditions 

Ionization potentials and electron affinities from ref. [38]. All values in eV. 

All three complexes are calculated to exhibit no electron transfer, 

---