“…By using B3LYP/6-31G(d) method, the scaled calculated value at 3514 cm À1 is assigned to the benzimidazolic NH (NH Bz ) stretching vibration in the benzimidazoles (L 1,2 ). For Pt-L 1 , Pd-L 2 and Pt-L 2 complexes (2-4), the t(NH) Bz bands are observed at 3225, 3227 and 3243 cm À1 , respectively, and are sharper than found in the uncoordinated ligand [3,24] due to the breaking of the intermolecular hydrogen bond. In Pd-L 1 complex (1), the t(NH) Bz vibration mode is embedded by the hydrogen bond effect generated by water of hydration.…”