An unusual cuprous iodide polymer incorporating I−, I2 and I3− structural units

Abstract

A novel cuprous iodide polymer [Cu₂(μ₄-L)(μ₂-I⁻)(I₂)(I₃⁻)]_n·nI₂ (1, L = 1-tetrazole-4-imidazole-benzene) has been hydrothermally synthesized. 1 contains a 1-D chain [Cu₂(μ₄-L)(μ₂-I⁻)(I₂)(I₃⁻)]_n and free I₂ molecules, which are interconnected by weak I⋯I interactions to form an unprecedented 3-D cuprous polyiodide network containing rare 1-D [(I⁻)·2I₂·(I₃)⁻]_n polyiodide ribbons. 1 shows luminescence and photoelectronic properties, and its theoretical band structure was also studied.