Synthesis, crystal structure, and characterization of a new non-centrosymmetric organic-inorganic hybrid material: [C6H16N2](2)(BiBr6)NO3

摘要

A novel organic-inorganic hybrid material, [C6H16N2](2)(BiBr6)NO3, was synthesized, and its structure was determined by means of single crystal X-ray diffraction studies at room temperature in the non-centrosymmetric orthorhombic space group P2(1)2(1)2 with the following parameters: a = 17.629(5) , b = 20.279(5) , c = 7.319(5) , and Z = 4. The crystal lattice is composed of discrete hexabromobismuthates and nitrate anions surrounded by trans-2,5-dimethylpiperazine-1,4-diium cations linked via simple and bifurcated N-H center dot center dot center dot Br(O) and weak C-H center dot center dot center dot Br(O) hydrogen bonds to form three-dimensional network. The vibrational spectrum has been measured at room temperature by FT-IR spectroscopy (4000-400 cm(-1)) on polycrystalline samples, shows the presence of organic cation and nitrate anion. The number of C-13 CP-MAS NMR lines is in full agreement with the crystallographic data.