207740-63-4Relevant academic research and scientific papers
Structure-activity correlation in titanium single-site olefin polymerization catalysts containing mixed cyclopentadienyl/aryloxide ligation
Manz, Thomas A.,Phomphrai, Khamphee,Medvedev, Grigori,Krishnamurthy, Balachandra B.,Sharma, Shalini,Haq, Jesmin,Novstrup, Krista A.,Thomson, Kendall T.,Delgass, W. Nicholas,Caruthers, James M.,Abu-Omar, Mahdi M.
, p. 3776 - 3777 (2007/10/03)
In this work, we report the synthesis of eighteen titanium cyclopentadienyl aryloxide complexes and their propagation rate constants for 1-hexene polymerization. A correlation between kp values and the underlying catalyst structures is developed using DFT-computed ligand cone angles and ion pair separation energies as structural and electronic descriptors. The correlation takes the form of an Arrhenius-like relationship where the pre-exponential factor is correlated to the ligand cone angles and the activation energy term is correlated to the ion pair separation energies. This finding is consistent with the idea that the ability of the monomer to access the metal center is a key factor affecting the reaction rate. Copyright
Synthesis of various nonbridged titanium(IV) cyclopentadienyl-aryloxy complexes of the type CpTi(OAr)X2 and their use in the catalysis of alkene polymerization. Important roles of substituents on both aryloxy and cyclopentadienyl groups
Nomura, Kotohiro,Naga, Naofumi,Miki, Misao,Yanagi, Kazunori,Imai, Akio
, p. 2152 - 2154 (2008/10/08)
Various titanium complexes of the type Cp′Ti-(OAr)Cl2 (Cp′ = cyclopentadienyl; OAr = aryloxy) could be prepared in high yields from Cp′TiCl3. These complexes show remarkable catalytic activities for alkene polymerization with MAO or
