LAUSR

Abstract The reaction of α,α-dimethyl substituted derivative of zoledronic acid with Ni(II) afforded 1D coordination polymer, Ni 3 (HL) 2 (H 2 O) 6 ·6H 2 O ( 1 ). The title compound possess crystallographically and spectroscopically distinct Ni1 and Ni2 centers characterized by tetragonality distortion parameter T  = 0.97 and 1.04, respectively, and is isomorphous with recently reported Co 3 (HL) 2 (H 2 O) 6 ·6H 2 O complexes based on α,α-dimethyl and cyclopropyl substituted zoledronate derivatives. Detailed analysis of thermal stability of 1 revealed that partly dehydrated [Ni 3 (HL) 2 (H 2 O) 3 ] still retains its architecture and structural integrity of coordinated ligands. Exploring supramolecular interactions that build up the crystal of 1 and related Co(II) complexes allowed a conclusion that distinct dehydration pathways observed for each compound may be correlated with subtle differences in 3D crystals packing. Ni 2 (P 2 O 7 ) salt was identified as the major final product of thermolysis of 1 . The magnetic properties of 1 analyzed in term of a spin-1 Heisenberg Ni2Ni1Ni2 trimer chains model revealed antiferromagnetic Ni1⋯Ni2 interactions within the trimers ( J 1  = −7.32 cm −1 ) and ferromagnetic Ni2⋯Ni2 intertrimers coupling ( Θ W  = 1.72 K). Furthermore, different values of the axial zfs D parameters and the g -factors were assigned to the Ni1 and Ni2 centers.