Platinum (II) catalyzed transformations of a dialkynylphosphine coordinated platinum(II) complex.
Tan, Siok Gim.
Date of Issue2008
School of Physical and Mathematical Sciences
Theoretical investigation of the rearrangement reaction was carried out. The relative energies of the reactant and possible products were determined using a hybrid QM/MM method with the ONIOM approach. The theoretical results indicate that the lower energy structures were those of the experimentally obtained products. The combination of experimental and theoretical investigations shows that the reaction was controlled by thermodynamics.