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Synthesis, characterization, thermal behavior, and DFT calculation of solid 1,4-bis(3-carboxy-3-oxo-prop-1-enyl) benzene of some trivalent lanthanides

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Abstract

Solid-state Ln2L3·nH2O compounds, where Ln represents trivalent lanthanides (from Eu to Lu and Y, except Dy) and L is 1,4-bis(3-carboxy-3-oxo-prop-1-enyl) benzene, have been synthesized. Simultaneous thermogravimetry and differential thermal analysis (TG–DTA), differential scanning calorimetry, X-ray powder diffractometry, infrared spectroscopy, and complexometry were used to characterize and to study the thermal behavior of these compounds. The dehydration of the compounds occurred until at 445 K (Y), at 440 K (Tb), and at 489 K (Eu, Gd, Ho, Er, Tm, Yb, and Lu). After dehydration, the DTA curves showed two other thermal events that are associated with the thermal decomposition of the compounds with formation of the respective oxides. The results also provided information about the composition, dehydration, crystallinity, and thermal decomposition of these compounds. Furthermore, the theoretical and experimental spectroscopic data suggest the possible modes of coordination of the ligand with the metals.

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Acknowledgements

The authors thank FAPESP (Proc. 2006/06951-3) CAPES and CNPq (Proc. 472233/2008-4 and 150759/2009) for financial support. This research was supported by resources supplied by the Faculdade de Engenharia de Guaratinguetá (UNESP), Center for Scientific Computing (NCC/Grid UNESP) of the Sao Paulo State University (UNESP) and CENAPAD-UNICAMP, Instituto de Química de Araraquara (UNESP) and a special thanks to GFQM-IQ for X-ray diffraction measurements.

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Authors and Affiliations

  1. Faculdade de Engenharia de Guaratinguetá, Departamento de Física e Química, UNESP – Univ. Estadual Paulista, Guaratinguetá, SP, Brazil

    Ana Clara Ferraretto, Ronaldo Spezia Nunes & José Marques Luiz

  2. Departamento de Química Analítica, Instituto de Química de Araraquara, UNESP – Univ. Estadual Paulista, Araraquara, SP, Brazil

    Flávio Junior Caires, Oswaldo Treu-Filho & Massao Ionashiro

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  1. Ana Clara Ferraretto
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  2. Ronaldo Spezia Nunes
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  3. José Marques Luiz
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  4. Flávio Junior Caires
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  5. Oswaldo Treu-Filho
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  6. Massao Ionashiro
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Correspondence to Ronaldo Spezia Nunes.

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Ferraretto, A.C., Nunes, R.S., Luiz, J.M. et al. Synthesis, characterization, thermal behavior, and DFT calculation of solid 1,4-bis(3-carboxy-3-oxo-prop-1-enyl) benzene of some trivalent lanthanides. J Therm Anal Calorim 118, 499–509 (2014). https://doi.org/10.1007/s10973-014-4016-8

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  • DOI: https://doi.org/10.1007/s10973-014-4016-8

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