Chapter3 1 3. The Characterization of a Newly Layered Bimetallic Hydrogen Selenite Copper-Selenium: Synthesis and Structure

Abstract Single-crystal X-ray diffraction data were used to solve the structure of a newly layered copper-selenium hydrogen selenite and further refined to a final reliability factor, R1 = 0.038. This structure was found to have an orthorhombic space group PBn21, with a = 7.1753(4) Å, b = 9.0743(4) Å, c = 17.725(9) Å, V = 1154.06(10) Å3, and Z = 4. Although this structure may be described to exhibit a bidimensional structure, it is actually three-dimensional in shape. The bidimensional structure is made up of layers, parallel to the (010) plane, which contain copper atoms and (HSeO3)− anions with sheets interconnected by [CuCl3(H2O)3] groups. Bond valence sum calculations were used to evaluate the Se and Cu oxidation states. Both the infrared (IR) and Raman spectra were obtained and employed to confirm the presence of hydrogen selenites (Se─O─H). Also, the dielectric constant at different frequencies and temperatures revealed a phase transition at 383 K.