Regio- and Stereoselective Cyclopolymerization of Functional 1,6-Heptadiynes and 1,5-Hexadiynes: Rationalizing Catalyst Activity with Monomer Structure

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The factors that govern the stereo- and regioselective cyclopolymerization of 1,6-heptadiynes with Rualkylidenes shall be elucidated. For this purpose, novel ruthenium-based initiators applicable to the metathesis-based cyclopolymerization of α,ω-diynes shall be synthesized. In addition, novel monomers, suitable for these purposes shall be designed and synthesized. The main focus of this project shall be devoted to mechanistic aspects of the cyclopolymerization process. The entire project will be supported by quantum chemical calculations. The final goal is to understand all prerequisites, whether catalyst or monomer related, for the controlled, living, stereo- and regioselective synthesis of poly(ene)s. Finally, in terms of materials science, the resulting polymers shall be briefly screened for their suitability to the area of conducting polymers. Despite a significant Peierls distortion that may well be expected for these polymers, priliminary data on conductivity are promising.