COMPLEXES OF GROUP 10 METALS WITH NON-CLASSICAL AND THIOETHER-FUNCTIONALIZED N-HETEROCYCLIC CARBENE LIGANDS

The thesis consist of four parts. The first part describes the electronic structures of 14 related N-heterocyclic carbene ligands, and their binding to early and late transition metal fragments, which has been studied by means of DFT calculations. In the second part, the donor strengths of pyrazole ligands has been determined and correlated to their nucleophilicities, and novel pyrazole-derived NHCs and their catalytic activities in direct arylation reactions are presented. The third part is focused on indazolin-3-ylidene ligands, their coordination chemistry with palladium(II), and catalytic applications for the direct arylation of 1-methylpyrrole, Sonogashira cross-couplings, and the hydroamination of alkynes. The forth part describes the synthesis of thioether-functionalized NHC precursors, and the coordination chemistry of these NHCs with platinum(II), palladium(II) and nickel(II), and the catalytic activities of these complexes. Additionally, the coordination chemistry of C,S,C-pincer ligands has been studied computationally.

Author dc:creator

• JAN CHRISTOPHER BERNHAMMER

• carbene, NHC, catalysis, nickel, palladium, platinum