N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry

Abstract

Herein for the first time we report monocoordinated cationic Cu(i) complexes with unsymmetrical arenes (toluene and m-xylene) [LCu(eta(3)-C7H8)](+)[SbF6](-) and [{LCu(eta(2)-Me2C6H4)}](+)[SbF6](-) [L = {PhC(NtBu)(2)SiN(SiMe3)(2)}], [IPr (1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)], their reactivity and catalytic applications in CuAAC reactions (12 examples). The bonding analysis was performed in both silylene and carbene complexes using the EDA-NOCV method at the BP86/TZ2P level of theory.