Synthesis and characterization of N-heterocyclic carbene-MOEt 2 complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M] + species

We report the synthesis, characterization and computational analysis of coinage metal-ether complexes supported by N-heterocyclic carbenes (NHC), SIPr and Et2CAAC. The related water adducts are also included. The [(NHC)M]+(M = Cu, Ag, Au) species show the noteworthy ability to bind Et2O and H2O. Thi...

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Published in:Physical chemistry chemical physics : PCCP 2021-01, Vol.23 (2), p.1577
Main Authors: Muñoz-Castro, Alvaro, Wang, Guocang, Ponduru, Tharun Teja, Dias, H V Rasika
Format: Article
Language:English
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Summary:We report the synthesis, characterization and computational analysis of coinage metal-ether complexes supported by N-heterocyclic carbenes (NHC), SIPr and Et2CAAC. The related water adducts are also included. The [(NHC)M]+(M = Cu, Ag, Au) species show the noteworthy ability to bind Et2O and H2O. This interaction towards Et2O and H2O is partly ascribed to a σ-hole bonding with an almost linear disposition, taking advantage of the enhanced σ-hole potential evaluated for such [(NHC)M]+ species. This enhanced ability is larger than those found for non-covalent interactions involving main group species.
ISSN:1463-9084