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

阐明了影响1,6-庚炔与鲁烷基烷立体选择性和区域选择性环聚合的因素。为此，应合成适用于α，ω-二炔的合成环聚合的新型钌基引发剂。此外，还应设计和合成适合这些用途的新型单体。这个项目的主要重点将放在环聚合过程的机理方面。整个项目将由量子化学计算支持。最终目标是了解所有的先决条件，无论是催化剂或单体相关，为控制，活的，立体和区域选择性合成聚（烯）。最后，在材料科学方面，所得聚合物应简要筛选其适合导电聚合物领域。尽管这些聚合物可能存在明显的佩尔斯畸变，但电导率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.