Early Transition Metal Permethylpentalene Complexes for the Polymerization of Ethylene

被引：15

作者：

Chadwick, F. Mark ^{[1
]}

Cooper, Robert T. ^{[1
]}

Ashley, Andrew E. ^{[2
]}

Buffet, Jean-Charles ^{[1
]}

O'Hare, Dermot M. ^{[1
]}

机构：

[1] Univ Oxford, Chem Res Lab, Oxford OX1 3TA, England

[2] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England

来源：

ORGANOMETALLICS | 2014年 / 33卷 / 14期

关键词：

NONRIGID ORGANOMETALLIC MOLECULES; APPROXIMATE COULOMB POTENTIALS; ZETA VALENCE QUALITY; AUXILIARY BASIS-SETS; GAUSSIAN-BASIS SETS; X-RAY-DIFFRACTION; OLEFIN POLYMERIZATION; CATALYST SYSTEMS; ATOMS LI; CRYSTAL;

D O I：

10.1021/om5004754

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A series of group 4 permethylpentalene-cyclopentadiene mixed sandwich complexes have been synthesized including the mono- and bis-cyclopentadienyl derivatives Pn*MCp2-xClx (Pn* = eta(8)-C8Me6, M = Ti, Zr, Hf, x = 0, 1) and the monopentamethylcyclopentadienyl species Pn*MCp*Cl (Pn* = eta(8)-C8Me6, M = Ti, Zr, and Hf). The compounds were all characterized via a range of techniques including single crystal X-ray diffraction allowing for comparison of trends descending group as well as the effect of permethylation of the cyclopentadienyl moiety. The complexes have been tested for their efficacy as catalysts for the solution polymerization of ethylene, and Pn*ZrCpCl was found to give the highest activity of 6993 kg mol(-1) h(-1) bar(-1) at 80 degrees C with a [MAO](0)/[Zd](0) ratio of 1000 and 2 bar pressure of ethylene gas in hexane.

引用

页码：3775 / 3785

页数：11

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