dc.contributor.author |
Gafurov Z.N. |
|
dc.contributor.author |
Zueva E.M. |
|
dc.contributor.author |
Bekmukhamedov G.E. |
|
dc.contributor.author |
Kagilev A.A. |
|
dc.contributor.author |
Kantyukov A.O. |
|
dc.contributor.author |
Mikhailov I.K. |
|
dc.contributor.author |
Khayarov K.R. |
|
dc.contributor.author |
Petrova M.M. |
|
dc.contributor.author |
Dovzhenko A.P. |
|
dc.contributor.author |
Rossin A. |
|
dc.contributor.author |
Giambastiani G. |
|
dc.contributor.author |
Yakhvarov D.G. |
|
dc.date.accessioned |
2022-02-09T20:31:25Z |
|
dc.date.available |
2022-02-09T20:31:25Z |
|
dc.date.issued |
2021 |
|
dc.identifier.issn |
0022-328X |
|
dc.identifier.uri |
https://dspace.kpfu.ru/xmlui/handle/net/168736 |
|
dc.description.abstract |
The nickel complexes (BzTzPCN)NiX (BzTzPC(H)N = 2-(3-((di-tert-butylphosphino)methyl)phenoxy)benzo[d]thiazole; X = F, Br) containing the unsymmetrical pincer k3-tridendate ligand with an oxo-bridged benzothiazole side-arm have been tested as homogeneous catalysts in ethylene oligomerization after preliminary activation by Modified Methylaluminoxane (MMAO). They showed high activity in the process (up to 200 × 103 molC2H4⋅molNi−1⋅h−1), with formation of even-numbered olefins (mainly C4-C10 fractions) as products. The comparison of their performance with the results obtained for more rigid pyrazole-based analogues (PyrPCN)NiX (PyrPC(H)N = 1-[3-[(di-tert-butylphosphino)methyl]phenyl]-1H-pyrazole; X = F, Br) demonstrates a positive effect stemming from the increased ligand flexibility. Moreover, the activation of (BzTzPCN)NiX by MMAO was studied by UV–Vis and 31P NMR spectroscopies combined with time-dependent density functional theory (TD-DFT), revealing the formation of Ni–CH3 species. Finally, DFT calculations were also performed to explore the mechanism of ethylene oligomerization catalyzed by the methyl analogues (PyrPCN)Ni(CH3) and (BzTzPCN)Ni(CH3). |
|
dc.relation.ispartofseries |
Journal of Organometallic Chemistry |
|
dc.subject |
Ethylene oligomerization |
|
dc.subject |
Nickel complexes |
|
dc.subject |
Quantum-chemical calculations |
|
dc.subject |
Reaction mechanism |
|
dc.subject |
Unsymmetrical PCN pincer ligands |
|
dc.subject |
UV–Vis spectroscopy |
|
dc.title |
Benzothiazole- vs. pyrazole-based unsymmetrical (PCN) pincer complexes of nickel(II) as homogeneous catalysts in ethylene oligomerization |
|
dc.type |
Article |
|
dc.relation.ispartofseries-volume |
949 |
|
dc.collection |
Публикации сотрудников КФУ |
|
dc.source.id |
SCOPUS0022328X-2021-949-SID85109950105 |
|