A Bis(thiophosphinoyl)methylene Ruthenium Carbene
Complex:  Synthesis, X-ray Crystal Structure, and DFT
Calculations of Its Thermally Promoted Reverse
α-Hydride Migration Process

Cantat, Thibault; Demange, Matthieu; Mézailles, Nicolas; Ricard, Louis; Jean, Yves; Floch, Pascal Le

doi:10.1021/om0504194.s001

om0504194_si_001.pdf (725.38 kB)

A Bis(thiophosphinoyl)methylene Ruthenium Carbene Complex: Synthesis, X-ray Crystal Structure, and DFT Calculations of Its Thermally Promoted Reverse α-Hydride Migration Process

journal contribution

posted on 2005-09-26, 00:00 authored by Thibault Cantat, Matthieu Demange, Nicolas Mézailles, Louis Ricard, Yves Jean, Pascal Le Floch

The synthesis and X-ray crystal structure of a new (S,C,S)-based carbene ruthenium complex (2) are presented. The thermally promoted rearrangement of this new complex to complex 3 involves a reverse α-hydride migration, which has been investigated by DFT calculations.