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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 |