volume 512 pages 111768

Chain and cluster models of methylaluminoxane as activators of zirconocene hydride, alkyl and metallacyclopropane intermediates in alkene transformations

Publication typeJournal Article
Publication date2021-08-01
scimago Q1
wos Q2
SJR0.878
CiteScore7.2
Impact factor4.9
ISSN24688231
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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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.
GOST all authors (up to 50) Copy
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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RIS Copy
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 -
BibTex
Cite this
BibTex (up to 50 authors) Copy
@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}
}