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Linkage Isomerism of Nitriles in Rhodium Half-Sandwich Metallacycles

A systematic analysis of the linkage isomerism of nitriles in half-sandwich five-membered rhodacycles is presented for 15 nitriles of the general formula RCN. The hitherto elusive transition states connecting the two isomers have been located using advanced DFT methods.

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Bibliographic Details
Published in:Organometallics 2008-08, Vol.27 (16), p.4028-4030
Main Authors: Orian, Laura, Zeist, Willem-Jan van, Bickelhaupt, F. Matthias
Format: Article
Language:English
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Summary:A systematic analysis of the linkage isomerism of nitriles in half-sandwich five-membered rhodacycles is presented for 15 nitriles of the general formula RCN. The hitherto elusive transition states connecting the two isomers have been located using advanced DFT methods.
ISSN:0276-7333
1520-6041
DOI:10.1021/om8004614