Magnetic nanoparticle-supported tetrazole-functionalized palladium catalyst: synthesis, DFT study and application for Sonogashira and Heck cross-coupling reactions

A novel magnetic catalyst-immobilized nano-palladium was efficiently prepared via a (2 + 3) cycloaddition pathway and characterized with different analyses, including FT-IR, FE-SEM, EDS, XRD, TEM and VSM methods. Also, topological and NBO analysis of a simple model of the catalyst with the M06/6-311 g(d,p)-LANL2DZ model chemistry have been introduced. In addition, the catalytic pursuit of this novel magnetic nanocatalyst was successfully evaluated in Sonogashira and Heck cross-coupling reactions. Furthermore, the catalyst could be easily separated by a conventional method using a permanent magnet and reused repeatedly in the model reaction without noteworthy loss of its catalytic activity. [GRAPHICS] .