Synthesis, Structural Characterization and Thermal Stability of A One-Dimensional Chain-like Coordination Polymer, [Fe(bpno)_2(NCS)_3]

摘要

A new polymeric complex, [Fe(bpno)_2(NCS)_3]_n (1) (bpno = 4,4'-bipyridyl-N,N'-dioxide) have been synthesized and structural characterized by single crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P-1, with chemical formula C_(23)H_(16)FeN_7O_4S_3, a = 9.0738(5), b = 9.7175(5), c = 15.0329(8) A, α = 97.668(1), β= 92.581(1) and γ= 102.441(1)°, V= 1279.1(1) and Z = 2. Structural determination reveals that the coordination environment of the iron(Ⅲ) ion is distorted octahedral, bonded with three oxygen donors of three bpno and three nitrogen donors of three NCS~- ligands. The bpno ligands adopt two different coodination modes, a monodentate coordination mode and a bis-monodentate coordination mode, which links the Fe(Ⅲ) ions to form a one-dimensional (1D) zigzag chain-like coordination polymer. Neighbouring chains are mutually connected via the C-H…O type hydrogen bonds to form a 2D hydrogen-bonded layered framework and then extended to a 3D supramolecular architecture via π-π interaction between the pyridyl rings of bpno ligands and unconventional C-H…S hydrogen bonding interactions. Compound 1 exhibits moderate thermo-stability and keeps its crystalline forms up to 190 ℃.