Polymerization of ethene with zirconocene catalysts: an experimental and quantum chemical study of the influence of para-substituent in benzyl in bis{η5-(1-benzyl)indenyl}zirconium dichlorides

Influence of the Ligand Structure of Hafnocene Polymerization Catalysts: A Theoretical Study on Ethene Insertion and Chain Propagation

“…It is notable that the aromatic ring of the benzyl-substituted C11 interacts with the metal center, thus providing further stabilization for the cation. This effect has been previously observed for benzyl-substituted zirconocenes . Likewise, the chlorine of C5 coordinates to the metal center, in which case the coordination is so strong that it prevents any further polymerization reactions.…”

Rotating Benzyl Substituent in ansa-Bis(indenyl)zirconocenes Controls Propene Polymerization

“…As reported previously, a benzyl substituent in the cyclopentadienyl ligand has a tendency to coordinate with the cationic metal center . Benzyl coordination is favored over propene coordination by 11−23 kJ/mol.…”

Synthesis of Ethylene-Bridged Bis(indenyl) Zirconium, Hafnium Complexes and Their Catalytic Behavior on Selective Propylene Oligomerization: the Effect of 3-Substituent on Indenyl Ring

“…目前茂金属催化剂仍主要应用于烯烃聚合领域, 催 化 α-烯烃齐聚获得可控分子量 α-烯烃齐聚物的研究报 道仍然很有限, 离实现工业上化应用还有很大的距离, 而市场对各类烯烃齐聚物产物有很大的潜在需求, 因此 开发能够催化 α-烯烃齐聚得到可控分子量烯烃齐聚物 产品的金属催化剂仍然有很大的研究空间和巨大的工 业化应用前景. 4,7-二甲基茚 [37] 和 1,2,3,5-四氢-6-甲基二环戊二烯 并苯 [38] 按照已有文献报道的方法进行合成.…”