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(η3-C7H8)]+[SbF6]- and [{LCu(η2-Me2C6H4)}]+[SbF6]- [L = {PhC(NtBu)2SiN(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.