Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization

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Orian, Laura; Swart, Marcel; Bickelhaupt, F. Matthias;

The mechanism of CpRh (Cp=cyclopentadienyl) and IndRh (Ind=indenyl)- catalyzed acetylene [2+2+2] cyclotrimerization has been revisited aiming at finding an explanation for the better performance of the latter catalyst found experimentally. The hypothesis that an ancilla... View more
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