| Abstract: LnCp3(Ln = Pr,Nd,Pm,Sm,Eu,Gd,Tb, Cp=C5H5) are treated by EH-MO method. The results indicate that energy levels, percentage compositions of MO etc. of these lanthanides are very similar. Linear relation between total energies and the atomic numbers of rare elements is found. The 4f orbitals of Ln do not take part in bonding. The bonds of Ln-Cp are polar bondings which have ionic, character in the main. The charge distributions of LnCp3 series have some regular pattern. According to above-mentioned informantions, the reasonable explanations of some chemical characters for LnCp3 are obtained. |
