Time-resolved and theoretical analysis of Mo-carbene transformations in metathesis of ethylene with 2-butene.

ABSTRACT: Although supported Mo-containing catalysts have been extensively investigated in the metathesis of ethylene with 2-butene to propene, the mechanisms of the formation and transformation of catalytically active Mo-carbenes in the course of the reaction are still not fully understood. The difficulties arise because only a tiny fraction of MoO _x species can form Mo-carbenes in situ, making the detection of the latter by spectroscopic means very unlikely. Herein, purposefully designed steady-state and transient experiments including their kinetic evaluation and density functional theory calculations enabled us to elucidate mechanistic and kinetic details of the above reaction-induced processes in the metathesis reaction over a Mo/P/SiO₂ catalyst at 50 °C. We

SUBMITTER: Otroshchenko T 

PROVIDER: S-EPMC11740092 | biostudies-literature | 2025 Feb

REPOSITORIES: biostudies-literature