Synthesis and structure of a praseodymium (Ⅲ) complex with carboxylate ligand:A thermal and spectroscopic study
来源期刊：Journal of Rare Earths2018年第10期
论文作者：José Augusto Teixeira Leandro Moreira de Campos Pinto Flávio Júnior Caires Oswaldo Treu-Filho Alexandre Cuin
文章页码：1090 - 1097
摘 要：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 N2 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 P21/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.
José Augusto Teixeira2，Leandro Moreira de Campos Pinto3，Flávio Júnior Caires4，Oswaldo Treu-Filho2，Alexandre Cuin5
2. Institute of Chemistry,State University of Sao Paulo3. Chemistry Institute,Federal University of Mato Grosso do Sul4. Chemistry Department,State University of Sao Paulo5. Federal University of Juiz de Fora
摘 要：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 N2 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 P21/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.
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