Insights into the new Th (IV) sulfate fluoride complex: Synthesis, crystal structures, and temperature dependent spectroscopic properties

Under hydrothermal condition, the decomposition of methanesulfonic acid to sulfate anion is observed, resulting in the formation of a novel thorium sulfate fluoride compound ThF2(SO4)(H2O) (1). This complex is structurally characterized by single crystal X-ray diffraction, revealing a three-dimensional structure crystallized in the monoclinic space-group P2(1)/n, where thorium cation is nine coordinated by four SO42- oxygen atoms, four bridging F-, and one H2O molecule. The crystal lattice parameters are a = 6.9065(7) angstrom, b = 6.9256(7) angstrom, c = 10.5892(11) angstrom, beta = 96.755(2)degrees, V 502.98(9) angstrom(3), Z = 4. The temperature dependent UV-Vis-NIR absorption spectra and fluorescence spectra were collected from 77 K to 300 K, where the intensities of the peaks varied as a function of temperature. The Raman vibrational spectrum of the samples collected from 100 to 2000 cm(-1) shows identical SO42- vibration modes. (C) 2015 Elsevier B.V. All rights reserved.