In Silico Design of Heteroaromatic Half-Sandwich Rh(I) Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect

L. Orian, L.P. Wolters, F.M. Bickelhaupt

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

A mechanistic density functional theory study of acetylene [2+2+2] cyclotrimerization to benzene catalyzed by Rh
Original languageEnglish
Pages (from-to)13337-13347
JournalChemistry: A European Journal
Volume2013
Issue number15
DOIs
Publication statusPublished - 2013

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