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

阐明了控制1，6-庚二炔与Rualkylidene的立体和区域选择性环化聚合的因素。为此，应合成适用于α，ω-二炔的基于易位的环化聚合的新型的基于铼的引发剂。此外，应设计和合成适用于这些目的的新型单体。本项目的主要重点应致力于环化聚合过程的机理方面。整个项目将得到量子化学计算的支持。最终的目标是了解所有的先决条件，无论是催化剂或单体相关的，为控制，生活，立体和区域选择性合成聚（烯）。最后，在材料科学方面，应简要筛选所得聚合物对导电聚合物领域的适用性。尽管可以很好地预期这些聚合物的显着Peierls失真，导电性的初步数据是有希望的。

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.