Spin-orbit effects metal-metal-multiple bonded m2x2 halide complexes
Henández Acevedo, Lucía
Arratia Pérez, Ramiro
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Dirac molecular spinor calculations on the Re2Cl82-, Re2Br82-, Os2Cl82- (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 p and d metal-metal bonds. We also compare the calculated molecular spin-orbit splitting against the calculated atomic spin-orbit splitting, and, against available experimental data.