Felix Bloch Institute for Solid State Physics, Leipzig University, 04103 Leipzig, Germany.
Department of Chemistry and NIS Centre of Excellence, University of Turin, 10125 Torino, Italy.
J Am Chem Soc. 2022 Jul 27;144(29):13079-13083. doi: 10.1021/jacs.2c06037. Epub 2022 Jul 12.
Using EPR and HYSCORE spectroscopies in conjunction with calculations, we assess the structure of framework-bound monomeric hydroxo-Cu in copper-loaded chabazite (CHA). The species is an interfacial distorted square-planar [CuOH(O-8MRs)] complex located at eight-membered-ring windows, displaying three coordinating bonds with zeolite lattice oxygens and the hydroxo ligand hydrogen-bonded to the cage. The complex has a distinctive EPR signature with = [2.072 2.072 2.290], = [30 30 410] MHz, and = [-13.0 -4.5 +11.5] MHz, distinctively different from other Cu species in CHA.
利用电子顺磁共振（EPR）和高分辨率电子自旋共振（HYSCORE）光谱学，并结合计算，我们评估了负载铜的八面沸石（CHA）中骨架结合的单体羟基金属铜的结构。该物种是一种界面扭曲的平面正方形[CuOH(O-8MRs)]配合物，位于八元环窗口，与沸石晶格氧和氢键连接到笼上的羟基金属配体显示出三个配位键。该配合物具有独特的电子顺磁共振特征，g 张量为[2.072 2.072 2.290]，A 张量为[30 30 410]MHz，D 张量为[-13.0 -4.5 +11.5]MHz，与 CHA 中的其他 Cu 物种明显不同。
