Experimental and theoretical studies of the d8-d10 interactions between Pd(II) and Au(I): bis(chlorophenylthiomethyldiphenylphosphine gold(I))dichloropalladium(II) and related systems.
- Crespo, O.
- Laguna, A.
- Fernandez, E.J.
- Lopez-de-Luzuriaga, J.M.
- Jones, P.G.
- Teichert, M.
- Monge, M.
- Pyykko, P.
- Runeberg, N.
- Schutz, M.
- Werner, H.-J.
DOIAbstract
The reaction between thioether phosphine gold(I) precursors such as [AuCl(Ph2PCH2SPh)], 1, or [Au(Ph2PCH2-SPh)2]CF3SO3 and PdCl2(NCPh)2 affords the new compounds [{AuCl(Ph2PCH2SPh)}2PdCl2], 2, and [AuPdCl2(Ph2-PCH2SPh)2]CF3SO3, 3. The crystal structure of complex 2 has the sterically unhindered Pd(II) and Au(I) at a distance of 314 pm: Quasirelativistic pseudopotential calculations on [AuPdCl3(PH2CH2SH)(SH2)] models give short Au - Pd distances at the second-order Moller - Plesset (MP2) level and long Au - Pd distances at Hartree - Fock (HF) level. A detailed analysis of the Au - Pd interaction shows dominant dispersion, some ionic contributions, and no net charge transfer between the metals
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