Ti Group Metallocene-Catalyzed Synthesis of 1-Hexene Dimers and Tetramers | Sciact

Ti Group Metallocene-Catalyzed Synthesis of 1-Hexene Dimers and Tetramers Научная публикация

Журнал

Molecules
ISSN: 1420-3049

Вых. Данные

Год: 2021, Том: 26, Номер: 9, Номер статьи : 2775, Страниц : DOI: 10.3390/molecules26092775

Авторы

Kovyazin Pavel V. , Bikmeeva Almira Kh. , Islamov Denis N. , Yanybin Vasiliy M. , Tyumkina Tatyana V. , Parfenova Lyudmila V.

Организации

1	Institute of Petrochemistry and Catalysis, Russian Academy of Sciences

1-Hexene transformations in the catalytic systems L2MCl2–XAlBui2 (L = Cp, M = Ti, Zr, Hf; L = Ind, rac-H4C2[THInd]2, M = Zr; X = H, Bu i) and [Cp2ZrH2]2-ClAlR2 activated by MMAO-12, B(C6F5)3, or (Ph3C)[B(C6F5)4] in chlorinated solvents (CH2Cl2, CHCl3, o-Cl2C6H4, ClCH2CH2Cl) were studied. The systems [Cp2ZrH2]2-MMAO-12, [Cp2ZrH2]2-ClAlBui2-MMAO-12, or Cp2ZrCl2-HAlBui2-MMAO-12 (B(C6F5)3) in CH2Cl2 showed the highest activity and selectivity towards the formation of vinylidene head-to-tail alkene dimers. The use of chloroform as a solvent provides further in situ dimer dimerization to give a tetramer yield of up to 89%. A study of the reaction of [Cp2ZrH2]2 or Cp2ZrCl2 with organoaluminum compounds and MMAO-12 by NMR spectroscopy confirmed the formation of Zr,Zr-hydride clusters as key intermediates of the alkene dimerization. The probable structure of the Zr,Zr-hydride clusters and ways of their generation in the catalytic systems were analyzed using a quantum chemical approach (DFT).

Kovyazin P.V. , Bikmeeva A.K. , Islamov D.N. , Yanybin V.M. , Tyumkina T.V. , Parfenova L.V.
Ti Group Metallocene-Catalyzed Synthesis of 1-Hexene Dimers and Tetramers
Molecules. 2021. V.26. N9. 2775 . DOI: 10.3390/molecules26092775 Scopus OpenAlex

Scopus:	2-s2.0-85106242519
OpenAlex:	W3162461502

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