TITANYL SULPHATE, AN INORGANIC POLYMER: STRUCTURAL STUDIES AND VIBRATIONAL ASSIGNMENT

Abstract

In this work, anhydrous titanyl sulfate (TiOSO4) was synthesized and characterized by elemental analyses and vibrational spectroscopy by the first time. In order to verify the stability of the crystallographic structure reported in the literature, an optimization calculation of the unit cell geometry was done with the CRYSTAL17 software, and the agreement with the experimental results was very good. Raman, infrared and far infrared spectra were obtained, the bands having been tentatively assigned, based on literature data for similar systems. Essentially, the spectra exhibit the vibrational modes of the sulfate anion splitted by the low local symmetry along with the bands of the TiO6 skeleton. The Raman spectra shows two intense bands, tentatively assigned to Ti-O modes.

Keywords

• titanyl sulfate
• Raman spectroscopy
• infrared spectroscopy
• solid state ab initio calculation
• CRYSTAL17