- Article
DFT Studies on cis-1,4-Polymerization of Dienes Catalyzed by a Cationic Rare-Earth Metal Complex Bearing an Ancillary PNP Ligand
- Xingbao Wang,
- Xiaohui Kang,
- Guangli Zhou,
- Jingping Qu,
- Zhaomin Hou and
- Yi Luo
Dnsity functional theory (DFT) calculations have been carried out for the highly selective cis-1,4-polymerization of butadiene catalyzed by a cationic rare-earth metal complex bearing an ancillary PNP ligand. It has been found that the chain initiati...