Kieninger Christoph, Wurst Klaus, Leitner Daniel, Peters Luis P, Dinu Dennis F, Wiedemair Markus, Zaretzke Marc-Kevin, Bröring Martin, Hohloch Stephan, Liedl Klaus R, Kräutler Bernhard
Institute of Organic Chemistry, University of Innsbruck, 6020 Innsbruck, Austria.
Center for Molecular Biosciences (CMBI), University of Innsbruck, 6020 Innsbruck, Austria.
Chem Commun (Camb). 2025 Jul 10;61(57):10606-10609. doi: 10.1039/d5cc02129d.
The d-Cu(II)-corrin cupribyrate (Cuby) was synthesized in 93% crystalline yield by rapid chelation of Cu-ions by the metal-free corrin-ligand of vitamin B. Single crystals of the EPR-active Cuby allowed for the first X-ray structure determination of a Cu-corrin. SCF-calculations provided insights complementary to the experimental data of Cuby and indicated an out-of-plane displacement of the reduced d-Cu(I)-ion, consistent with the observed reductive activation of Cuby towards loss of its Cu-center.
通过维生素B的无金属钴胺配体对铜离子的快速螯合，以93%的结晶产率合成了d-Cu(II)-钴胺铜酸盐（Cuby）。具有电子顺磁共振活性的Cuby单晶使得首次对铜-钴胺进行X射线结构测定成为可能。自洽场计算提供了与Cuby实验数据互补的见解，并表明还原态d-Cu(I)离子的面外位移，这与观察到的Cuby对其铜中心损失的还原活化一致。
