ELECTRONIC STRUCTURE AND BOND CHARACTER OF COMPLEXES OF RARE EARTH CHLORIDES WITH CROWN ETHERS

·15-C-5 com-plex of coordination number 11.The HOMO and neighboring occupied MOs are composed of Cl 3p and O2p,and the LUMO and neighboring unoccupied MOs are composed of Ln orbitals.The level structure easily pro-duces Ln3d satellite in XPS caused by L→Ln charge transfer transition.Due to the coordination,the absolutevalues of the charge are decreased at Ln and O atoms,but increased at Cl atoms,which is in agreement withXPS results.