Metallophilic attractions between d8–d10 heterometallic compounds trans-[Pt(PH3)2(CN)2] and M(PH3)2+ (M=Ag or Cu): Ab initio study.

The weak metal–metal interactions of Pt(II)–Ag(I)/Cu(I) have been investigated by ab initio method at MP2 level through the model complexes [trans-Pt(PH3)2(CN)2-M(PH3)2+] (M=Ag,Cu). The calculated interaction energy of 12.9 and 11.5 kcal mol-1 for [trans-Pt(PH3)2(CN)2-Ag(PH3)2+] and [trans-Pt(PH3)2(CN)2–Cu(PH3)2+] respectively, are in the middle of the van der Waals force and the strong hydrogen bond. The estimated equilibrium separations between Pt and M, req(Pt–M) (3.32 Å for M=Ag and 3.23 Å for M=Cu), lie within the region expected for weak metal–metal interaction. The electronic dispersive contributions dominate the weak interaction. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]