Mono- and di-cyclopentadienyl zirconium derivatives containing the dimethylsilylcyclopentadienyl ligand. Agostic linear Si–H–Zr interaction in the molecular structure of [Zr{η5-C5H4(SiMe2H)}Cl3]2 †

Oxo and Imido Complexes of Rhenium and Molybdenum in Catalytic Reductions

“…The coordination mode depicted in C represents end-on interaction analogous to bridging hydride in boranes and metal clusters. Indeed, these interactions, particularly B, are well documented in the literature [43], while C is more rare [44]. D-F show coordination modes in which the metalligand multiple bond is a participant.…”

Structural and Spectroscopic Characterization of an Unprecedented Cationic Transition‐Metal η1‐Silane Complex

“…[4,5] Moreover, all of the structurally characterized s-complexes are h 2 -SiH complexes, in which the silane is bound side-on with significant metal-silicon interaction (Scheme 1, B). [6,7] We report here the first example of a fully characterized cationic transition-metal h 1 -silane complex (Scheme 1, A) in which the silane is bound to a metal center in an end-on fashion with no appreciable metal-silicon interaction.…”

Analysis of M⋯H–Si interactions in [{M(CpSiMe2H)Cl3}2], (M = Zr, Hf, Ti and Mo) complexes

“…As spectroscopic data is important for characterisation purposes, we have computed various spectroscopic features for (1) to make comparisons with experimental data (Table 1). The IR spectrum of [{Zr(CpSiMe 2 H)Cl 3 } 2 ] obtained by experiments 8 shows the Si-H symmetric stretch at 2066 cm -1 compared to 2117 cm -1 for the free ligand. This lowering is mirrored in the calculated values for the complex (2060 cm -1 ) in comparison to the calculated value of the free ligand (2183 cm -1 ).…”

“…7 The complex [{Zr(CpSiMe 2 H)Cl 3 } 2 ] reported in 2001, shows an unusual structure involving a close approach of a ligand Si-H hydrogen to a zirconium atom across a dimer in a linear sense, which is present in the solid state but absent in solution. 8 Whereas it could be inferred that the hydrogen simply occupies a pocket created by a coordination site not being used, the X-ray crystal structure indicates that some molecular engineering may have taken place. In particular, the Zr ◊ ◊ ◊ H distance was found to be relatively short [2.28(3) A ˚] being within the sum of the van der Waals radii.…”