Synthesis, Structure, and Band Gap of a Novel Inorganic–Organic Hybrid Material Based on Antimony Halide and Organoamine

Using an organoamine, 2,5-bis (1-imidazoly) pyridine (L), a novel inorganic-organic hybrid material based on antimony halide formulated as {(CH 3 ) 2 L} 2+ {(Sb 4 Cl 8 I 8 ) 0.5 } 2– ( 1 ) was synthesized in situ via solvothermal technique and characterized by the single-crystal X-ray diffraction. During the synthesis, the organoamine L was transformed in situ into the imidazolium ion, {(CH 3 ) 2 L} 2+ . In the compound 1 , four Sb(III) ions are linked by two \({u_{{3^ - }}}\) I – and four u \({u_{{2^ - }}}\) I – ligands into a (Sb 4 I 8 Cl 8 ) 4– unit, in which eight Cl – ions and two I – ions act as the terminal ligands. The uncoordinated {(CH 3 ) 2 L} 2+ organoamine moieties are linked with the (Sb 4 I 8 Cl 8 ) 4– clusters via H bonds into three-dimensional (3D) supramolecular architecture. The band structure calculation shows that the compound has an indirect band gap of 2.253 eV.