| 3 | Synthesis and structure of a praseodymium (Ⅲ) complex with carboxylate ligand:A thermal and spectroscopic study显示文摘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(DMB_Z)_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. | Kátia Veronica Tenório José Augusto Teixeira Leandro Moreira de Campos Pinto Flávio Júnior Caires Oswaldo Treu-Filho Fáhio Alencar dos Santos Tiago André Denck Colman Alexandre Cuin Cláudio Teodoro de Carvalho | 2018 | Journal of Rare Earths2018，36，10： | 0 |
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