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DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization

Leila Yur'evna Ustynyuk 1
Leila Yur'evna Ustynyuk
, 
Boris Mikhailovich Bulychev 1
Boris Mikhailovich Bulychev
10.1016/j.mencom.2015.01.008
Published 2014-12-26
Communication , Volume 25, Issue 1, 24-26
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Ustynyuk L. Y., Bulychev B. M. DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization // Mendeleev Communications. 2014. Vol. 25. No. 1. pp. 24-26.
GOST all authors (up to 50) Copy
Ustynyuk L. Y., Bulychev B. M. DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization // Mendeleev Communications. 2014. Vol. 25. No. 1. pp. 24-26.
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TY - JOUR
DO - 10.1016/j.mencom.2015.01.008
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2015.01.008
TI - DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization
T2 - Mendeleev Communications
AU - Ustynyuk, Leila Yur'evna
AU - Bulychev, Boris Mikhailovich
PY - 2014
DA - 2014/12/26
PB - Mendeleev Communications
SP - 24-26
IS - 1
VL - 25
ER -
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@article{2014_Ustynyuk,
author = {Leila Yur'evna Ustynyuk and Boris Mikhailovich Bulychev},
title = {DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization},
journal = {Mendeleev Communications},
year = {2014},
volume = {25},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2015.01.008},
number = {1},
pages = {24--26},
doi = {10.1016/j.mencom.2015.01.008}
}
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Ustynyuk, Leila Yur'evna, and Boris Mikhailovich Bulychev. “DFT modeling of the effect of magnesium dichloride on the catalytic activity of post-titanocene complexes in ethylene polymerization.” Mendeleev Communications, vol. 25, no. 1, Dec. 2014, pp. 24-26. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2015.01.008.

Abstract

The DFT study of magnesium dichloride effect on the catalytic activity of titanium complexes LTi(Y)Cl (where L is a saligenin-type ligand, and Y is Cl or Me) in olefin polymerization has demonstrated that heterobinuclear titanium–magnesium complex with –O– and –Cl– bridging bonds is the most stable product of the reaction between MgCl2 and LTi(Y)Cl and the most probable catalytic particle for ethylene polymerization.

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