Chain and cluster models of methylaluminoxane as activators of zirconocene hydride, alkyl and metallacyclopropane intermediates in alkene transformations
Publication type: Journal Article
Publication date: 2021-08-01
scimago Q1
wos Q2
SJR: 0.878
CiteScore: 7.2
Impact factor: 4.9
ISSN: 24688231
Catalysis
Physical and Theoretical Chemistry
Process Chemistry and Technology
Abstract
• Reactions of Zr-hydrides, -alkyls, and -carbocycles with various MAO models were studied. • Complexes with MAO differing in the structure were tested for the propene insertion. • Chain and cage MAO structures provide the most active catalytic sites. The reactions of zirconocene hydride, alkyl, and metallacyclopropane intermediates with chain and cluster models of methylaluminoxane (MAO) have been studied using a quantum chemical approach (DFT). These reactions are considered as possible activation steps of the key intermediates in various olefin transformations. Complexes with MAO differing in the structure and stability were tested for the propene insertion stage for which thermodynamic and activation parameters were determined. Comparative analysis of the results demonstrated a significant role of chain and cage MAO structures in the formation of the sites most active toward the alkene.
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Total citations:
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Citations from 2024:
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Tyumkina T. V. et al. Chain and cluster models of methylaluminoxane as activators of zirconocene hydride, alkyl and metallacyclopropane intermediates in alkene transformations // Molecular Catalysis. 2021. Vol. 512. p. 111768.
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Tyumkina T. V., Islamov D. N., Kovyazin P. V., Parfenova L. V. Chain and cluster models of methylaluminoxane as activators of zirconocene hydride, alkyl and metallacyclopropane intermediates in alkene transformations // Molecular Catalysis. 2021. Vol. 512. p. 111768.
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TY - JOUR
DO - 10.1016/j.mcat.2021.111768
UR - https://doi.org/10.1016/j.mcat.2021.111768
TI - Chain and cluster models of methylaluminoxane as activators of zirconocene hydride, alkyl and metallacyclopropane intermediates in alkene transformations
T2 - Molecular Catalysis
AU - Tyumkina, Tatyana V
AU - Islamov, Denis N
AU - Kovyazin, Pavel V
AU - Parfenova, Lyudmila V.
PY - 2021
DA - 2021/08/01
PB - Elsevier
SP - 111768
VL - 512
SN - 2468-8231
ER -
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@article{2021_Tyumkina,
author = {Tatyana V Tyumkina and Denis N Islamov and Pavel V Kovyazin and Lyudmila V. Parfenova},
title = {Chain and cluster models of methylaluminoxane as activators of zirconocene hydride, alkyl and metallacyclopropane intermediates in alkene transformations},
journal = {Molecular Catalysis},
year = {2021},
volume = {512},
publisher = {Elsevier},
month = {aug},
url = {https://doi.org/10.1016/j.mcat.2021.111768},
pages = {111768},
doi = {10.1016/j.mcat.2021.111768}
}