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

Abstract

Using an organoamine, 2,5-bis (1-imidazoly) pyridine (L), a novel inorganic-organic hybrid material based on antimony halide formulated as {(CH₃)₂L}²⁺{(Sb₄Cl₈I₈)^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, {(CH₃)₂L}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 (Sb₄I₈Cl₈)^4–unit, in which eight Cl^–ions and two I^–ions act as the terminal ligands. The uncoordinated {(CH₃)₂L}²⁺ organoamine moieties are linked with the (Sb₄I₈Cl₈)^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.