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Mechanism of ethylene dimerization catalyzed by Ti(OR')4/AlR3

journal contribution
posted on 2023-05-17, 14:26 authored by Suttil, JA, McGuinness, DS
Ti-alkoxide-based catalysts in combination with AlEt3 are responsible for the production of a significant proportion of the world's 1-butene supply, via the dimerization of ethylene. A metallacycle mechanism is normally presumed to operate with this system. However, despite its importance, the catalyst is not mechanistically well understood. The mechanism of dimerization has been studied through a series of C2H4/C2D4 co-oligomerization experiments and comparison of theoretical and experimental mass spectra. The results obtained show that the textbook metallacycle mechanism is most likely not responsible for dimerization with this catalyst. Instead, an excellent fit between the theoretical and experimental mass spectra is obtained when a conventional Cossee-type mechanism (insertion/β-hydride elimination) is modeled. The formation of both the primary product 1-butene and the secondary reaction products (ethylene/1-butene co-dimers) is best explained by this mechanism.

History

Publication title

Organometallics

Volume

31

Issue

19

Pagination

7004-7010

ISSN

0276-7333

Department/School

School of Natural Sciences

Publisher

Amer Chemical Soc

Place of publication

1155 16Th St, Nw, Washington, USA, Dc, 20036

Rights statement

Copyright 2012 American Chemical Society

Repository Status

  • Restricted

Socio-economic Objectives

Organic industrial chemicals (excl. resins, rubber and plastics)

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