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Back Cover: In Silico Design of Heteroaromatic Half‐Sandwich Rh I Catalysts for Acetylene [2+2+2] Cyclotrimerization: Evidence of a Reverse Indenyl Effect (Chem. Eur. J. 40/2013)
Author(s) -
Orian Laura,
Wolters Lando P.,
Bickelhaupt F. Matthias
Publication year - 2013
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201390158
Subject(s) - acetylene , cyclopentadienyl complex , chemistry , benzene , catalysis , reactivity (psychology) , slippage , medicinal chemistry , metal , ligand (biochemistry) , stereochemistry , polymer chemistry , organic chemistry , materials science , medicine , alternative medicine , pathology , composite material , biochemistry , receptor
A reverse indenyl effect occurs in the acetylene [2+2+2] cyclotrimerization to benzene by Rh I half‐metallocene catalysts with heteroaromatic ligands. In their Full Paper on page 13337 ff. , L. Orian, F. M. Bickelhaupt et al. have designed, in silico, heteroaromatic ligands that are isoelectronic to the classic hydrocarbon cyclopentadienyl and indenyl anions. Mechanistic explorations and activation strain analyses reveal and explain the reverse indenyl effect, that is, a decrease in reactivity associated with an increased metal slippage. On the cover, the initial bis‐ acetylene complexes of all ligands are shown: the different extent of Rh slippage controls the orientation of the alkynes, which resembles the pose of the wings of Siproeta stelenes , the Central American butterfly shown.