Synthesis, spectroscopic characterization and electronic structure of some new Cu(I) carbene complexes

Reaction of oligomeric Cu(I) complexes [Cu{m-S-C(=NR)(O–Ar–CH3)}]n with Lewis acids gave Cu(I) carbene complexes, which were characterized by 1H and 13C NMR spectroscopy. Cu(I) carbine complexes could be directly generated from RNCS, Cu(I)–OAr and Lewis acids; this method can be used to prepare Cu(I) carbene complexes with different substitutents on the carbene carbon. The complexes were unreactive towards olefins and do not undergo cyclopropanation. Electronic structure calculations (DFT) show that the charge on the carbene carbon plays an important role in controlling the reactivity of the carbene complex.