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Magnesium dichloride effect in ethylene polymerization reactions: a comparative DFT study of Mg-containing and Mg-free post-titanocene catalytic systems

Leila Yur'evna Ustynyuk 1
Leila Yur'evna Ustynyuk
, 
Boris Mikhailovich Bulychev 1
Boris Mikhailovich Bulychev
10.1016/j.mencom.2016.01.018
Published 2015-12-30
Communication , Volume 26, Issue 1, 45-48
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Ustynyuk L. Y., Bulychev B. M. Magnesium dichloride effect in ethylene polymerization reactions: a comparative DFT study of Mg-containing and Mg-free post-titanocene catalytic systems // Mendeleev Communications. 2015. Vol. 26. No. 1. pp. 45-48.
GOST all authors (up to 50) Copy
Ustynyuk L. Y., Bulychev B. M. Magnesium dichloride effect in ethylene polymerization reactions: a comparative DFT study of Mg-containing and Mg-free post-titanocene catalytic systems // Mendeleev Communications. 2015. Vol. 26. No. 1. pp. 45-48.
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TY - JOUR
DO - 10.1016/j.mencom.2016.01.018
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.01.018
TI - Magnesium dichloride effect in ethylene polymerization reactions: a comparative DFT study of Mg-containing and Mg-free post-titanocene catalytic systems
T2 - Mendeleev Communications
AU - Ustynyuk, Leila Yur'evna
AU - Bulychev, Boris Mikhailovich
PY - 2015
DA - 2015/12/30
PB - Mendeleev Communications
SP - 45-48
IS - 1
VL - 26
ER -
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@article{2015_Ustynyuk,
author = {Leila Yur'evna Ustynyuk and Boris Mikhailovich Bulychev},
title = {Magnesium dichloride effect in ethylene polymerization reactions: a comparative DFT study of Mg-containing and Mg-free post-titanocene catalytic systems},
journal = {Mendeleev Communications},
year = {2015},
volume = {26},
publisher = {Mendeleev Communications},
month = {Dec},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.01.018},
number = {1},
pages = {45--48},
doi = {10.1016/j.mencom.2016.01.018}
}
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Ustynyuk, Leila Yur'evna, and Boris Mikhailovich Bulychev. “Magnesium dichloride effect in ethylene polymerization reactions: a comparative DFT study of Mg-containing and Mg-free post-titanocene catalytic systems.” Mendeleev Communications, vol. 26, no. 1, Dec. 2015, pp. 45-48. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.01.018.

Abstract

A DFT study of the bi- and trinuclear heterocomplexes of Ti, Al and Mg revealed a higher reactivity of Mg-containing compounds toward ethylene, as compared to Mg-free systems; this explains a significant activation effect of Mg-containing compounds on thecatalytic activity of the Ti complexes in ethylene polymerization.

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