Mendeleev Communications, volume 26, issue 6, pages 488-490

Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study

Publication typeJournal Article
Publication date2016-11-24
Quartile SCImago
Q3
Quartile WOS
Q3
Impact factor1.9
ISSN09599436, 1364551X
General Chemistry
Abstract
The quantum-chemical modeling of post-titanocene catalytic systems for alkene polymerization suggests that the activation effect of Mg-containing compounds in alkene polymerization can be caused by a greater exothermicity of Cl ligand exchange in bi- and trinuclear heterocomplexes of Ti, Mg and Al for the alkyl group of AlR 3 with respect to a Ti complex and their higher stability and reactivity toward alkenes, as compared to Ti and Al compounds formed in the Mg-free system.

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Ustynyuk L. Y. et al. Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study // Mendeleev Communications. 2016. Vol. 26. No. 6. pp. 488-490.
GOST all authors (up to 50) Copy
Ustynyuk L. Y., Ovsyannikova N. L., Shornikova A. Yu., Kharlanov A. N. Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study // Mendeleev Communications. 2016. Vol. 26. No. 6. pp. 488-490.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2016.11.009
UR - https://doi.org/10.1016%2Fj.mencom.2016.11.009
TI - Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study
T2 - Mendeleev Communications
AU - Ustynyuk, Leila Yu.
AU - Ovsyannikova, Natalya L
AU - Shornikova, Alina Yu
AU - Kharlanov, Andrey N
PY - 2016
DA - 2016/11/24 00:00:00
PB - Elsevier
SP - 488-490
IS - 6
VL - 26
SN - 0959-9436
SN - 1364-551X
ER -
BibTex |
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BibTex Copy
@article{2016_Ustynyuk
author = {Leila Yu. Ustynyuk and Natalya L Ovsyannikova and Alina Yu Shornikova and Andrey N Kharlanov},
title = {Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study},
journal = {Mendeleev Communications},
year = {2016},
volume = {26},
publisher = {Elsevier},
month = {nov},
url = {https://doi.org/10.1016%2Fj.mencom.2016.11.009},
number = {6},
pages = {488--490},
doi = {10.1016/j.mencom.2016.11.009}
}
MLA
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MLA Copy
Ustynyuk, Leila Yu., et al. “Ti–C bond formation reactions in post-titanocene catalytic systems for alkene polymerization: a DFT study.” Mendeleev Communications, vol. 26, no. 6, Nov. 2016, pp. 488-490. https://doi.org/10.1016%2Fj.mencom.2016.11.009.
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