Selective Dimerization of Ethene to 2-Butene on Zn²⁺-Modified ZSM-5 Zeolite

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Selective dimerization of ethene to 2-butene on Zn 2+ -containing ZSM-5 zeolite (Zn 2+ /ZSM-5) at 296–523 K has been discovered. The intermediate but-3-en-1-ylzinc species is identified with 13 C CP/MAS NMR and Fourier transform infrared spectroscopy. The density functional theory study of two alternative dimerization pathways reveals that the intermediate is formed with the involvement of the saturated bridged dimeric Zn–(CH 2 ) 4 –O species. It is also shown that ethene conversion to 2-butene increases with the increase in the quantity of Brønsted acid sites in Zn 2+ /ZSM-5 zeolite; however, the selectivity of the reaction decreases. The results obtained are of potential interest for developing industrially relevant Zn-containing zeolite catalysts for the selective conversion of ethene to 2-butene.