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Computational Investigations on Excited State Properties of Cyanine Dyes and Carbene-bound Main Group ElementsDownload
The first section of this thesis is concerned with the computational study of excited state properties of boron-dipyrromethene (BODIPY) organic dyes using ab initio and time-dependent density functional theory (TD-DFT) methods. Through a comprehensive benchmark of TD-DFT methods against...
Development of Ir- and Rh-Catalyzed Deoxygenation and Carbene Cross Coupling Reactions of Allylic CarbonatesDownload
Transition metal-catalyzed allylic substitution reactions are widely used for the selective formation of new bonds. This class of reaction has been extensively studied with a variety of nucleophiles and under optimized conditions that will furnish product in high yield and with high chemo-,...
An investigation into the relatively new carbene class, N-heterocyclic olefins (NHOs) was completed. An improved synthesis of the ligand was developed. NHOs were tested as ligands for late transition metal complexes. Specifically complexes with rhodium, gold and palladium were synthesized and...