cis–trans Isomerisation of CpRe(CO)2(H)(ArF) (ArF = C6FnH5−n; n = 0–5) is the rate determining step in C–H activation of fluoroarenes: a DFT study†
Abstract
Density functional calculations have been used to examine the reaction of {CpRe(CO)2} with
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* Corresponding authors
a
LSDSMS (UMR 5636), case courrier 14, Université Montpellier 2, 34095 Montpellier, France
E-mail:
clot@univ-montp2.fr
b Instituto de Química, Universidad Católica de Valparaíso, Casilla 4059, Valparaíso, Chile
c
Department of Chemistry, University of York, York, UK
E-mail:
rnp1@york.ac.uk
Density functional calculations have been used to examine the reaction of {CpRe(CO)2} with
E. Clot, B. Oelckers, A. H. Klahn, O. Eisenstein and R. N. Perutz, Dalton Trans., 2003, 4065 DOI: 10.1039/B305064E
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