Neodymium (Nd3+)-imprinted polymers were prepared by the surface template polymerization technique. Two types of phosphonates were utilized as functional molecules. These Nd(III)-imprinted polymers were applied to the mutual separation of lanthanides; La(III) and Nd(III), The relationship between the imprint effect and the chemical properties of the functional molecules was investigated concerning the performance of the Nd(III)-imprinted polymers. A high interfacial property derived from the structure of the functional molecule, was found to be essential for creating high selectivity and high adsorption ability on the Nd(III)-imprinted polymers.