AI Article Synopsis

  • Researchers explored the use of metallocenes with a 2-indenyl substituent for creating more effective catalysts in ethene/α-olefin copolymerization, a previously overlooked area.
  • The study demonstrated that these catalysts can produce linear low-density polyethylene (LLDPE) and are relatively easy to synthesize, allowing for various structural adaptations.
  • Screening of 28 catalysts revealed that the top-performing catalyst exhibited strong comonomer affinity and the ability to produce high molecular weight at relevant industrial temperatures, with steric factors playing a key role in the observed trends.

Article Abstract

In the search for more efficient single-center ethene/α-olefin copolymerization catalysts, metallocenes bearing a 2-indenyl substituent pattern have largely been ignored in the past. Here, we show that such a structural motif yields competent linear low-density polyethylene (LLDPE) catalysts. They are also relatively easy to synthesize, allowing for a wide structural amplification. A screening of 28 catalysts reveals that the lead catalyst in this study displays high comonomer affinity and molecular weight capability at industrially relevant temperatures. QSAR models show that steric factors likely contribute stronger than electronic factors to the observed substituent trends, both for comonomer affinity and MW capability.

Download full-text PDF

Source
http://dx.doi.org/10.1039/c9dt04896kDOI Listing

Publication Analysis

Top Keywords

copolymerization catalysts
8
comonomer affinity
8
c-symmetric si-bridged
4
si-bridged 2-indenyl1-indenyl
4
2-indenyl1-indenyl ansa-metallocenes
4
ansa-metallocenes efficient
4
efficient ethene/1-hexene
4
ethene/1-hexene copolymerization
4
catalysts
4
catalysts search
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!