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DFT study of dimethylzirconocene activation by one or two Al(C6F5)3 molecules, formation of ion pairs and their reactions with ethylene

Leila Yur'evna Ustynyuk 1
Leila Yur'evna Ustynyuk
, 
Elga Arkad'evna Fushman 2
Elga Arkad'evna Fushman
10.1016/j.mencom.2009.07.002
Published 2009-07-03
Communication , Volume 19, Issue 4, 182-184
6
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Ustynyuk L. Y., Fushman E. A. DFT study of dimethylzirconocene activation by one or two Al(C6F5)3 molecules, formation of ion pairs and their reactions with ethylene // Mendeleev Communications. 2009. Vol. 19. No. 4. pp. 182-184.
GOST all authors (up to 50) Copy
Ustynyuk L. Y., Fushman E. A. DFT study of dimethylzirconocene activation by one or two Al(C6F5)3 molecules, formation of ion pairs and their reactions with ethylene // Mendeleev Communications. 2009. Vol. 19. No. 4. pp. 182-184.
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TY - JOUR
DO - 10.1016/j.mencom.2009.07.002
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2009.07.002
TI - DFT study of dimethylzirconocene activation by one or two Al(C6F5)3 molecules, formation of ion pairs and their reactions with ethylene
T2 - Mendeleev Communications
AU - Ustynyuk, Leila Yur'evna
AU - Fushman, Elga Arkad'evna
PY - 2009
DA - 2009/07/03
PB - Mendeleev Communications
SP - 182-184
IS - 4
VL - 19
ER -
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@article{2009_Ustynyuk,
author = {Leila Yur'evna Ustynyuk and Elga Arkad'evna Fushman},
title = {DFT study of dimethylzirconocene activation by one or two Al(C6F5)3 molecules, formation of ion pairs and their reactions with ethylene},
journal = {Mendeleev Communications},
year = {2009},
volume = {19},
publisher = {Mendeleev Communications},
month = {Jul},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2009.07.002},
number = {4},
pages = {182--184},
doi = {10.1016/j.mencom.2009.07.002}
}
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Ustynyuk, Leila Yur'evna, and Elga Arkad'evna Fushman. “DFT study of dimethylzirconocene activation by one or two Al(C6F5)3 molecules, formation of ion pairs and their reactions with ethylene.” Mendeleev Communications, vol. 19, no. 4, Jul. 2009, pp. 182-184. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2009.07.002.

Keywords

Al-containing activators
olefin polymerization
zirconocenes

Abstract

The interaction of ethylene with the catalytic particles, ion pairs Cp2ZrMe+A– [Cp = η5-C5H5, A– = MeAl(C6F5)3– or (C6F5)3Al–Me–Al(C6F5)3–], has been investigated. The participation of two molecules of Al-containing activator in the formation of a catalytic particle facilitates more efficiently the polymerization reaction as compared to one molecule of Al-containing activator.

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