Abstract

Dirac molecular spinor calculations on the Re2Cl 82-, Re2Br82-, Os 2Cl82- (both staggered and eclipsed isomers), Os2Br82- and Os2I82- cluster ions are reported. Here we report the calculations of the spin-orbit splitting affecting the metal and ligand core-like states and also affecting the ? and ? metal-metal bonds. We also compare the calculated molecular spin-orbit splitting against the calculated atomic spin-orbit splitting, and, against available experimental data.