Browsing by Author "Zheng, Feng"

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    Olefin oligomerization reactions theoretical studies using cyclometallated palladium(II) catalysts and experimental studies on platinum(II) analogues
    (2012) Zheng, Feng; Moss, John R; Hutton, Alan T; Mapolie, Selwyn F; Van Sittert, Cornie GCE
    Ethylene oligomerization reactions catalysed by cyclometallated palladium(II) N-benzylidenebenzylamine complexes were studied theoretically. Density functional theory (DFT) calculations are reported on the interaction of various MAO models with the methylated pre-catalyst. The neutral MAO dissociation process is shown to remain the major interaction that takes place in the Pd/MAO interactions. On the other hand, the formal methyl abstraction process could be also feasible if more energy is provided. Therefore, the relative energies were calculated for intermediates and transition states for both Cossee-type and metallacycle mechanisms.
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    Thermal decomposition studies on metallacycloalkanes and their precursors
    (2007) Zheng, Feng; Moss, John R
    Metallacycloalkanes are important intermediates in organic transformations involving transition metals. These transformations include olefin metathesis, ethylene oligomerization etc. The studying of thermal decomposition behavior of these compounds can help us to understand the termination step in the mechanism of these transformations. This thesis describes the thermal decomposition studies on some new metallacycloalkanes with medium to large ring size and their precursor compounds.