Theoretical Study of Substituent Effects in the Diimine−M(II) Catalyzed Ethylene Polymerization Reaction Using the IMOMM Method

1998 ◽  
Vol 120 (7) ◽  
pp. 1581-1587 ◽  
Author(s):  
Robert D. J. Froese ◽  
Djamaladdin G. Musaev ◽  
Keiji Morokuma
Keyword(s):  
Ethylene Polymerization ◽  
Theoretical Study ◽  
Substituent Effects ◽  
Polymerization Reaction

(Pyrazol-1-yl)carbonyl palladium complexes as catalysts for ethylene polymerization reaction

2013 ◽  
Vol 724 ◽  
pp. 95-101 ◽  
Author(s):  
Hosana D. Mkoyi ◽  
Stephen O. Ojwach ◽  
Ilia A. Guzei ◽  
James Darkwa
Keyword(s):  
Ethylene Polymerization ◽  
Palladium Complexes ◽  
Polymerization Reaction

scholarly journals Effects of Various Mixed Metal Chlorides- AlCl3 in TiCl4/MgCl2/THF Catalytic System on Ethylene Polymerization

2015 ◽  
Vol 14 (2) ◽  
pp. 12
Author(s):  
Nittaya Sudsong ◽  
Wanna Phiwkliang ◽  
Bunjerd Jongsomjit ◽  
Piyasan Praserthdam
Keyword(s):  
Catalytic System ◽  
Ethylene Polymerization ◽  
Catalyst System ◽  
Polymerization Reaction ◽  
Molar Ratio ◽  
Metal Chlorides ◽  
Mixed Metal ◽  
Icp Analysis ◽  
Co Addition

In this research, the modification of TiCl4/MgCl2/THF catalyst system with various metal chlorides was investigated on ethylene polymerization. Experimentally, metal chlorides (CaCl2, FeCl2 and ZnCl2) were simultaneously introduced different with TiCl4/MgCl2/THF catalyst. ICP analysis was used to determine the total amount of each metal in the catalyst. For polymerization reaction, TEA was used as cocatalyst and hexane was used as a medium solvent. The Al/Ti molar ratio was 140. The activity result of Ca-Al, Zn-Al and Fe-Al was 979, 1009 and 1476 kgPE/molTi.h, respectively. The coaddition of AlCl3 and FeCl2 in TiCl4/MgCl2/THF catalyst system exhibited the highest activity. It suggested that the co-addition of AlCl3 and FeCl2 has higher electronegativity (EN) and the radius of Fe2+ is closer to Mg2+ resulting in an increased efficiency of the THF removal. This result led to improve the catalyst performance.

Theoretical study of substituent effects. Analysis of steric repulsion by means of paired interacting orbitals

1989 ◽  
Vol 54 (11) ◽  
pp. 2568-2573 ◽  
Author(s):  
Hiroshi Fujimoto ◽  
Yoshitaka Mizutani ◽  
Jun Endo ◽  
Yasuhisa Jinbu
Keyword(s):  
Theoretical Study ◽  
Substituent Effects ◽  
Steric Repulsion
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