Diels–Alder via Molecular Recognition in a Crystalline Molecular Flask

In the pore of a porous coordination network, Diels–Alder reactants, a diene and a dienophile, are recognized by donor–acceptor and multiple H-bond interactions, respectively, and fixed at ideal positions for the reaction. Heating the crystals promoted the Diels–Alder reactions with enhanced reactivity and controlled regioselectivity as clearly monitored by in situ X-ray crystallography.在多孔配位网络（porous coordination network）的孔道内，狄尔斯-阿尔德（Diels–Alder）反应物——二烯（diene）与亲双烯体（dienophile）——分别通过供体-受体相互作用与多重氢键相互作用被识别，并固定于该反应的理想位点。对该晶体进行加热可促进狄尔斯-阿尔德反应，同时提升反应活性并获得可控的区域选择性，这一过程可通过原位X射线晶体学（in situ X-ray crystallography）实现清晰监测。