Synthesis and DFT Study of a Diphenylsilanone-Bridged Dimolybdenum Complex.

M Angeles AlvarezM Esther GarcíaDaniel García-VivóSonia MenéndezMiguel A Ruiz

Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2016)

Reaction of the 30-electron benzylidyne complex [Mo2 Cp2 (μ-CPh)(μ-PCy2 )(μ-CO)] with excess Ph2 SiH2 under visible-UV irradiation yields the silylene-bridged complex [Mo2 Cp2 (μ-CPh)(μ-PCy2 )(μ-SiPh2 )]. This compound undergoes selective oxidation with O2 to give the unsaturated complex [Mo2 Cp2 (μ-CPh)(μ-PCy2 )(μ-κ(1) :κ(1) -OSiPh2 )], which contains an unprecedented bridging diphenylsilanone ligand, as confirmed by X-ray diffraction analysis and DFT calculations. The bonding within the central Mo2 SiO ring of this complex approaches the extreme description of a dimetallacyclosiloxane according to the relevant solid-state bond lengths and theoretical calculations.

Keyphrases

density functional theory
molecular dynamics
molecular dynamics simulations
magnetic resonance imaging
high resolution
climate change
molecular docking
radiation induced
electron microscopy
contrast enhanced