The Clusters [Ma(ECp*)b] (M=Pd, Pt; E=Al, Ga, In): Structures, Fluxionality, and Ligand Exchange Reactions

Why are the Homoleptic Diyl Complexes M(

Why are the Homoleptic Diyl Complexes M(InR)4 with M = Ni and Pt Stable Compounds while only Ni(CO)4 but not Pt(CO)4 can become Isolated? A Theoretical Study of M(EMe)44 and M(CO)4 (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl)

✍ Markus Doerr; Gernot Frenking 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 German ⚖ 345 KB 👁 2 views

The equilibrium geometries and first bond dissociation energies of the homoleptic complexes M(EMe) 4 and M(CO) 4 with M ϭ Ni, Pd, Pt and E ϭ B, Al, Ga, In, Tl have been calculated at the gradient corrected DFT level using the BP86 functionals. The electronic structure of the metal-ligand bonds has b