Are β-H-eliminations or alkene insertions feasible elementary steps in catalytic cycles involving gold(I) alkyl species or gold(I) hydrides?

The β-H-elimination in the (IPr)AuEt complex and its microscopic reverse, the insertion of ethene into (IPr)AuH, were investigated in a combined experimental and computational study. Our DFT-D3 calculations predict free-energy barriers of 49.7 and 36.4 kcal mol−1 for the elimination and insertion pr...

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Bibliographic Details

Main Authors:	Klatt, Günter (Author) , Xu, Rong (Author) , Pernpointner, Markus (Author) , Molinari, Lise (Author) , Quang Hung, Tran (Author) , Rominger, Frank (Author) , Hashmi, A. Stephen K. (Author) , Köppel, Horst (Author)
Format:	Article (Journal)
Language:	English
Published:	February 10, 2013
In:	Chemistry - a European journal Year: 2013, Volume: 19, Issue: 12, Pages: 3954-3961
ISSN:	1521-3765
DOI:	https://doi.org/10.1002/chem.201203043
Online Access:	Verlag, lizenzpflichtig, Volltext: https://doi.org/https://doi.org/10.1002/chem.201203043 Verlag, lizenzpflichtig, Volltext: https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201203043
Author Notes:	Günter Klatt, Rong Xu, Markus Pernpointner, Lise Molinari, Tran Quang Hung, Frank Rominger, A. Stephen K. Hashmi, and Horst Köppel