Spin-orbit effects metal-metal-multiple bonded m2x2 halide complexes

• LUCÍA HENÁNDEZ-ACEVEDO ^[1] ; RAMIRO ARRATIA-PÉREZ ^[1]
  1. [1] Universidad Andrés Bello

     Universidad Andrés Bello

     Santiago, Chile

     
• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 49, Nº. 4, 2004, págs. 361-365
• Idioma: inglés
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• Resumen

  • Dirac molecular spinor calculations on the Re2Cl8(2-), Re2Br8(2-), Os2Cl8(2-) (both staggered and eclipsed isomers), Os2Br8(2-) and Os2I8(2-) 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