Tesis doctoral de Samat Tussupbayev
The thesis presents a computational study of hydride bridged systems. The chemistry of diruthenium tetrahydride-bridged complex was studied in the first part. It includes the next reactions: the hydride exchange with dihydrogen; the c-h bond activation in ethylene to yield bis(vinyl) ethylene complex; the c-c coupling between coordinated ethylene and two vinyl ligands to yield ruthenacyclopentadiene complex. The detailed mechanism of these reactions has been determined. The importance of flexibility of hydride ligands and cooperation between two metal centers has been demonstrated. the fluxional behavior of two ¿-silylene complexes and a silylium cation was studied in the second part. The pathway responsible for the site-exchange of hydride ligands and methyl groups in the ¿-silylene complexes has been established. Two possible mechanisms of the shift of si-h-si bridge position in the polyagostic silylium cation, associated with internal rotation of silyl groups have been found.
Datos académicos de la tesis doctoral «Theoretical study of reactivity and dynamics of hydride-bridged diruthenium complexes and silylium cation«
- Título de la tesis: Theoretical study of reactivity and dynamics of hydride-bridged diruthenium complexes and silylium cation
- Autor: Samat Tussupbayev
- Universidad: Girona
- Fecha de lectura de la tesis: 26/02/2009
Dirección y tribunal
- Director de la tesis
- Sergei Vyboishchikov
- Tribunal
- Presidente del tribunal: miquel Sol? puig
- konstantin Neyman (vocal)
- agusti Lledos falco (vocal)
- matthias Bickelhaupt (vocal)