Nickel(II) Complex Derived from Unsymmetrical α-(2-Hydroxy-3-salicylideneaminopropyl)iminopropionic Acid

摘要

>A nickel(II) complex with α-(2-hydroxy-3-salicylideneaminopropyl)iminopropionic acid (H₃hsaip), [Ni(Hhsaip)], was isolated, and the crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. The complex crystallizes in the monoclinic space group P2₁/c with a = 9.364(3)?, b = 17.725(5)?, c = 7.753(2)?, β = 105.004(5)°, V = 1242.8(6)?3, D_x = 1.715 g/cm3, and Z = 4. The R1 [I 2σ(I)] and wR2 (all data) values are 0.0601 and 0.1444, respectively, for all 2950 independent reflections. The complex is a mononuclear nickel(II) complex with Hhsaip, which was derived from the degradation of 1-acetylacetoneimine-3-salicylideneamino-2-propanol, having a square-planar geometry. In the crystal, the nickel atom is close to the neighboring molecule’s one with a distance of 3.265(1)?. A DFT calculation suggested that the S = 0 state without metal–metal bonding is more stable compared with an S = 1 state with the metal–metal bonding.