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A DFT Quantum-Chemical Study of Ion-Pair Formation for the Catalyst Cp2ZrMe2 /MAO

✍ Scribed by Ivan I. Zakharov; Vladimir A. Zakharov

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
686 KB
Volume
11
Category
Article
ISSN
1022-1344

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✦ Synopsis

Calculated at the DFT/6-31G level the at interaction of "true" MAO (c) (Al 8 Me 12 O 6 ) with (g 5 -C 5 H 5 ) 2 ZrMe 2 .

📜 SIMILAR VOLUMES

A DFT Quantum-Chemical Study of the Stru
A DFT Quantum-Chemical Study of the Structure of Precursors and Active Sites of Catalyst Based on 2,6-Bis(imino)pyridyl Fe(II) Complexes
✍ Ivan I. Zakharov; Vladimir A. Zakharov 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 325 KB

## Abstract Summary: A DFT method has been applied for quantum‐chemical calculations of the molecular structure of charge‐neutral complex LFeMe(μMe)~2~AlMe~2~ which is formed in system LFeMe~2~ + AlMe~3~ (L = 2,6‐bis(imino)pyridyl). Calculations suggested the formation of highly polarized complex L