A Zr-hydroxamate metal–organic framework with intrinsic chelating sites for postsynthetic Pd metalation and Suzuki–Miyaura catalysis.

A highly crystalline and robust Zr-hydroxamate metal–organic framework (MOF) was prepared from a pyrazine-based ligand, featuring abundant N,N′ chelating sites. High-degree Pd(II) metalation of the MOF was achieved through straightforward postsynthetic modification, with detailed coordination chemistry elucidated spectroscopically. The Pd-functionalized MOF was then studied as a heterogeneous Suzuki–Miyaura catalyst, through combined experimental/computational methods. [ABSTRACT FROM AUTHOR]