Reactions of bimetallic Zr,Al- hydride complexes with methylaluminoxane: NMR and DFT study
2
Institute of Petroleum Refining and Petrochemistry of the Republic of Bashkortostan, 12 Iniciativnaya st., Ufa 450065, Russian Federation
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Publication type: Journal Article
Publication date: 2017-11-01
scimago Q3
wos Q2
SJR: 0.385
CiteScore: 4.1
Impact factor: 2.4
ISSN: 0022328X, 18728561
Materials Chemistry
Organic Chemistry
Biochemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Abstract In the reaction of [(C 5 H 5 ) 2 ZrH 2 ] 2 with ClAlR 2 (R = Et, i Bu) we identified the new complexes Cl(R 2 )Al( μ -H)(C 5 H 5 ) 2 Zr( μ -H)( μ -Cl)(C 5 H 5 ) 2 Zr( μ -H)Al(R 2 )Cl, characterized by the upfield 1 Н NMR signals for the bridging Zr-H-Zr hydride in the −7 to −6 ppm range. The complexes were found to react with methylaluminoxane (MAO) to give both toluene-soluble derivatives and poorly soluble heavy adducts. DFT study has been carried out for the modeling the possible variants of MAO binding with the complexes. Various MAO models, namely, one-, two- and three-dimensional structures were considered as scaffolds for coordination with the complexes, however, plane hexagon with a (MeAlO) 3 unit as the chain analog were found to be the preferable structure for binding.
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15
Total citations:
15
Citations from 2024:
2
(13%)
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Parfenova L. V. et al. Reactions of bimetallic Zr,Al- hydride complexes with methylaluminoxane: NMR and DFT study // Journal of Organometallic Chemistry. 2017. Vol. 851. pp. 30-39.
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Parfenova L. V., Kovyazin P. V., Tyumkina T. V., Islamov D. N., Lyapina A. R., Karchevsky S. G., Ivchenko P. V. Reactions of bimetallic Zr,Al- hydride complexes with methylaluminoxane: NMR and DFT study // Journal of Organometallic Chemistry. 2017. Vol. 851. pp. 30-39.
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TY - JOUR
DO - 10.1016/j.jorganchem.2017.09.012
UR - https://doi.org/10.1016/j.jorganchem.2017.09.012
TI - Reactions of bimetallic Zr,Al- hydride complexes with methylaluminoxane: NMR and DFT study
T2 - Journal of Organometallic Chemistry
AU - Parfenova, Lyudmila V.
AU - Kovyazin, Pavel V
AU - Tyumkina, Tatyana V
AU - Islamov, Denis N
AU - Lyapina, Alya R
AU - Karchevsky, Stanislav G
AU - Ivchenko, Pavel V
PY - 2017
DA - 2017/11/01
PB - Elsevier
SP - 30-39
VL - 851
SN - 0022-328X
SN - 1872-8561
ER -
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@article{2017_Parfenova,
author = {Lyudmila V. Parfenova and Pavel V Kovyazin and Tatyana V Tyumkina and Denis N Islamov and Alya R Lyapina and Stanislav G Karchevsky and Pavel V Ivchenko},
title = {Reactions of bimetallic Zr,Al- hydride complexes with methylaluminoxane: NMR and DFT study},
journal = {Journal of Organometallic Chemistry},
year = {2017},
volume = {851},
publisher = {Elsevier},
month = {nov},
url = {https://doi.org/10.1016/j.jorganchem.2017.09.012},
pages = {30--39},
doi = {10.1016/j.jorganchem.2017.09.012}
}