The invention relates to a palladium coordination polymer molecule aggregate catalysis material as well as a preparation method and an application thereof. The catalysis material is a coordination polymer molecule aggregate catalysis material formed by self-assembling on the surface of a solid substrate, the precursor of the catalysis material comprises palladium coordination ion as well as pyridine containing multidentate ligand or high molecular ligand, wherein the palladium coordination ion is selected from one of tetrachloro combined palladium acid radical, dichloro-2, 2'-dipyridine palladous, and dichloroacetamide palladous, and the pyridine containing multidentate ligand or high molecular ligand is selected from one of 4, 4'-combined pyridine, 2, 4, 6- collidine triazine, metal or hollow tetra pyridyl porphyrin, trans-1, 2- collidine ethylene, combined dipyridylzinc thiocyanate and polyethylene pyridine. LB film preparation technology or layered assembly method is adopted for organism selective ethylenic bond organic hydrogenation reaction, thus having high catalysis efficiency, easy realization in separation of catalyst and reactant and product, convenient operation and low cost.