A copper thiolate centre for electron transfer: mononuclear vs. dinuclear complexes†
Abstract
We have structurally and spectroscopically investigated a rare example of a mononuclear aliphatic dithiolate CuII complex characterized by a reversible CuII/CuI redox couple. By DFT, we have shown that this system has a lower reorganization energy than its previously described bis(μ-thiolato) dicopper parent complex, which reversibly cycles between the Cu1.5Cu1.5 and CuICuI redox states.