Synthesis and structure of a praseodymium (III) complex with carboxylate ligand: A thermal and spectroscopic study

Abstract

One Pr(III) lanthanide ion complex was initially synthesized and characterized by TGA-DSC in air atmosphere, as well as characterized by CHN elemental analysis, defining the stoichiometric ratio as Pr(DMBz)(3). The gaseous products evolved during the thermal decomposition were also monitored in N-2 atmosphere employing TGA/FT-IR system. A crystal structure is obtained by state-of-the-art powder X-rays diffraction methods measured in conventional laboratory equipment and refined by the Rietveld method, which defined it as a monoclinic system of the space group P2(1)/c with a polymeric crystal structure, [Pr(DMBz)(3)](n). FT-IR theoretical spectrum and time-dependent density functional theory (TD-DFT) were calculated from TGA-DSC and crystalline system data. The experimental and theoretical FT-IR spectra present a high correlation degree when the main stretching bands are compared, while the energy transfer (HOMO - LUMO) in their neighborhoods suggests the main contributions of the light-emitting states. (C) 2018 Published by Elsevier B.V. on behalf of Chinese Society of Rare Earths.