Quantum Chemical Investigation of the Initial Steps of the Yttrium-Mediated Polymerization of Ethene and Propene

✍ Scribed by Nadja Sändig; Thomas K. Dargel; Wolfram Koch

• Book ID: 101299399
• Publisher: John Wiley and Sons
• Year: 2000
• Tongue: German
• Weight: 167 KB
• Volume: 626
• Category: Article
• ISSN: 0372-7874
• DOI: 10.1002/(sici)1521-3749(200002)626:2<392::aid-zaac392>3.0.co;2-2

✦ Synopsis

The mechanistic details of the initial steps of the polymerization brought about by a dicyclopentadienyl yttriumhydrid catalyst have been computationally investigated using approximate density functional theory. In accord with the experimental information, the overall reaction sequence Cp