Herein, we utilize the surface dangling bond of MOFs as anchoring sites to access single Pd sites embedded on a hollow MOF nanobox. The stabilization of isolated Pd₁ species is based on the strong coordination of the surface dangling bond of MOFs, followed by sequential reduction and phase transfer processes. The supported isolated single Pd sites can effect the highly active and selective process to produce conjugated dienes towards the dimerization of terminal aryl acetylenes, which has been previously only catalyzed by homogeneous catalysts. Unlike the commercial Pd/C and nanoparticles (NPs), the heterolytic cleavage of H₂ and C–H bond efficient cleavage of terminal alkynes on atomically dispersed Pd₁ sites ensure the high selectivity process and prevent the generation of styrene.

中文翻译：

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单一钯中心催化剂作为在末端芳基乙炔二聚反应中将均相转化为非均相的桥梁†

在本文中，我们利用MOF的表面悬挂键作为锚定位点，以访问嵌入在空心MOF纳米盒上的单个Pd位点。分离的Pd ₁物种的稳定化基于MOF表面悬空键的强配位，然后依次进行还原和相转移过程。负载的孤立的单个Pd位点可实现高活性和选择性的过程，以产生共轭二烯，使端基芳基乙炔二聚，而后者以前仅由均相催化剂催化。与商业化的Pd / C和纳米颗粒（NPs）不同，H ₂和C–H的杂合裂解有效裂解了原子分散的Pd ₁上末端炔烃的键合 位置确保了高选择性过程并防止了苯乙烯的生成。