Home / Publications / Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization

Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization

Ilya Eduardovich Nifant'ev 1, 2
Ilya Eduardovich Nifant'ev
, 
Alexander Andreevich Vinogradov 1
Alexander Andreevich Vinogradov
, 
Alexey Andreevich Vinogradov 1
Alexey Andreevich Vinogradov
, 
Pavel Vasil'evich Ivchenko 1, 2
Pavel Vasil'evich Ivchenko
10.1016/j.mencom.2021.07.029
Published 2021-07-07
Communication , Volume 31, Issue 4, 523-525
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Nifant'ev I. E. et al. Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization // Mendeleev Communications. 2021. Vol. 31. No. 4. pp. 523-525.
GOST all authors (up to 50) Copy
Nifant'ev I. E., Vinogradov A. A., Vinogradov A. A., Ivchenko P. V. Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization // Mendeleev Communications. 2021. Vol. 31. No. 4. pp. 523-525.
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TY - JOUR
DO - 10.1016/j.mencom.2021.07.029
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.07.029
TI - Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization
T2 - Mendeleev Communications
AU - Nifant'ev, Ilya Eduardovich
AU - Vinogradov, Alexander Andreevich
AU - Vinogradov, Alexey Andreevich
AU - Ivchenko, Pavel Vasil'evich
PY - 2021
DA - 2021/07/07
PB - Mendeleev Communications
SP - 523-525
IS - 4
VL - 31
ER -
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@article{2021_Nifant'ev,
author = {Ilya Eduardovich Nifant'ev and Alexander Andreevich Vinogradov and Alexey Andreevich Vinogradov and Pavel Vasil'evich Ivchenko},
title = {Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization},
journal = {Mendeleev Communications},
year = {2021},
volume = {31},
publisher = {Mendeleev Communications},
month = {Jul},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.07.029},
number = {4},
pages = {523--525},
doi = {10.1016/j.mencom.2021.07.029}
}
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Nifant'ev, Ilya Eduardovich, et al. “Alternative mechanistic interpretation for unconventional catalytic behaviour of triisobutylaluminium-activated heterocenes in ethylene polymerization.” Mendeleev Communications, vol. 31, no. 4, Jul. 2021, pp. 523-525. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.07.029.

Abstract

DFT simulations of ethylene polymerization with the participation of neutral Zr–Al3 hydride species revealed a fundamental difference in catalytic behaviour of triisobutylaluminium-activated heterocenes and conventional ansa-zirconocenes.

References

4.
New application for metallocene catalysts in olefin polymerization
Kaminsky W., Funck A., Hähnsen H.
Dalton Transactions, 2009
5.
Group 4 metal complexes for homogeneous olefin polymerisation: a short tutorial review
Collins R.A., Russell A.F., Mountford P.
Applied Petrochemical Research, 2015
7.
Modeling Metal-Catalyzed Olefin Polymerization
Rappé A.K., Skiff W.M., Casewit C.J.
Chemical Reviews, 2000
9.
Zirconocene-Catalyzed Polymerization of α-Olefins: When Intrinsic Higher Activity Is Flawed by Rapid Deactivation
Desert X., Proutiere F., Welle A., Den Dauw K., Vantomme A., Miserque O., Brusson J., Carpentier J., Kirillov E.
Organometallics, 2019
14.
Activation of Cp2ZrX2 (X = Me, Cl) by Methylaluminoxane As Studied by Electrospray Ionization Mass Spectrometry: Relationship to Polymerization Catalysis
Collins S., Linnolahti M., Zamora M.G., Zijlstra H.S., Rodríguez Hernández M.T., Perez-Camacho O.
Macromolecules, 2017
15.
Reactivity Trends of Lewis Acidic Sites in Methylaluminoxane and Some of Its Modifications
Zaccaria F., Budzelaar P.H., Cipullo R., Zuccaccia C., Macchioni A., Busico V., Ehm C.
Inorganic Chemistry, 2020
17.
Methylalumoxane - History, Production, Properties, and Applications
Zijlstra H.S., Harder S.
European Journal of Inorganic Chemistry, 2014
21.
Metallocene Catalysts for Olefin Oligomerization
Janiak C., Blank F.
Macromolecular Symposia, 2006
22.
Zirconocene-catalyzed dimerization of 1-hexene: Two-stage activation and structure-catalytic performance relationship
Nifant'ev I.E., Vinogradov A.A., Vinogradov A.A., Ivchenko P.V.
Catalysis Communications, 2016
23.
Non-traditional Ziegler-Natta catalysis in α-olefin transformations: Reaction mechanisms and product design
Nifant’ev I., Ivchenko P., Tavtorkin A., Vinogradov A., Vinogradov A.
Pure and Applied Chemistry, 2017
24.
Nifant’ev I.E., Vinogradov A.A., Vinogradov A.A., Bezzubov S.I., Ivchenko P.V.
Mendeleev Communications, 2017
25.
Nifant’ev I.E., Vinogradov A.A., Vinogradov A.A., Churakov A.V., Ivchenko P.V.
Mendeleev Communications, 2018
27.
Zirconocene-catalyzed dimerization of α-Olefins: DFT modeling of the Zr-Al binuclear reaction mechanism
Nifant’ev I., Vinogradov A., Vinogradov A., Karchevsky S., Ivchenko P.
Molecules, 2019
28.
Experimental and theoretical study of zirconocene-catalyzed oligomerization of 1-Octene
Nifant’ev I., Vinogradov A., Vinogradov A., Karchevsky S., Ivchenko P.
Polymers, 2020
30.
The catalytic behavior of heterocenes activated by TIBA and MMAO under a low Al/Zr ratios in 1-octene polymerization
Nifant'ev I.E., Vinogradov A.A., Vinogradov A.A., Churakov A.V., Bagrov V.V., Kashulin I.A., Roznyatovsky V.A., Grishin Y.K., Ivchenko P.V.
Applied Catalysis A: General, 2019
31.
C2-symmetry dimethylated zirconocenes activated with triisobutyl aluminum as effective homogeneous catalysts for copolymerization of olefins
Bravaya N.M., Panin A.N., Faingol'd E.E., Babkina O.N., Razavi A.
Journal of Polymer Science, Part A: Polymer Chemistry, 2010
32.
(a) I. E. Nifant’ev and V. V. Bagrov, Patent US 6451724 B1, 1999; (b) T. Dall’Occo, O. Fusco, M. Galimberti, I. Nifant’ev and I. Laishevtsev, Patent US 6787619B2, 2004.
33.
A novel zirconium-catalyzed hydroalumination of olefins
Negishi E., Yoshida T.
Tetrahedron Letters, 1980
34.
Mechanism of Cp2ZrCl2-catalyzed olefin hydroalumination by alkylalanes
Parfenova L.V., Pechatkina S.V., Khalilov L.M., Dzhemilev U.M.
Russian Chemical Bulletin, 2005
35.
New effective reagent [Cp2ZrH2·ClAlEt2]2 for alkene hydrometallation
Parfenova L.V., Vil’danova R.F., Pechatkina S.V., Khalilov L.M., Dzhemilev U.M.
Journal of Organometallic Chemistry, 2007
36.
Kinetic model of olefin hydroalumination by HAlBui2 and AlBui3 in the presence of Cp2ZrCl2 catalyst
Parfenova L.V., Balaev A.V., Gubaidullin I.M., Abzalilova L.R., Pechatkina S.V., Khalilov L.M., Spivak S.I., Dzhemilev U.M.
International Journal of Chemical Kinetics, 2007
38.
Novel Zirconocene Hydride Complexes in Homogeneous and in SiO2 -Supported Olefin-Polymerization Catalysts Modified with Diisobutylaluminum Hydride or Triisobutylaluminum
Babushkin D.E., Panchenko V.N., Timofeeva M.N., Zakharov V.A., Brintzinger H.H.
Macromolecular Chemistry and Physics, 2008
39.
Alkylaluminum-Complexed Zirconocene Hydrides: Identification of Hydride-Bridged Species by NMR Spectroscopy
Baldwin S.M., Bercaw J.E., Brintzinger H.H.
Journal of the American Chemical Society, 2008
40.
On study of chemoselectivity of reaction of trialkylalanes with alkenes, catalyzed with Zr π-complexes
Parfenova L.V., Gabdrakhmanov V.Z., Khalilov L.M., Dzhemilev U.M.
Journal of Organometallic Chemistry, 2009
45.
Intramolecular mobility of η5-ligands in chiral zirconocene complexes and the enantioselectivity of alkene functionalization by organoaluminum compounds
Parfenova L.V., Zakirova I.V., Kovyazin P.V., Karchevsky S.G., Istomina G.P., Khalilov L.M., Dzhemilev U.M.
Dalton Transactions, 2016