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A DFT study of ruthenium pincer carboxylate complexes as potential catalysts for the direct carboxylation of arenes with CO2 – meridional versus facial coordination

S. D. Stoychev,a   C. M. Conifer,a   A. Uhe,a   M. Hölscher*ab and   Walter Leitnera  
Corresponding authors
Institut für Technische und Makromolekulare Chemie, RWTH Aachen University, Worringerweg 1, 52074 Aachen, Germany
Fax: (+ 49) 241–8022177
JARA – High-Performance Computing, Schinkelstraße 2, D – 52062 Aachen, Germany
Dalton Trans., 2014,43, 11180-11189

DOI: 10.1039/C4DT00294F
Received 27 Jan 2014, Accepted 13 Mar 2014
First published online 11 Apr 2014

This article is part of themed collection: Synergy between Experiment and Theory
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