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.