Structural and thermal characterization of novel Ni(II)(L-threoninato)2(H2O)2 crystal

This study focuses on the synthesis and characterization of the novel Ni(II)(L-threoninato)2(H2O)2 crystal, a bivalent transition metal complex based on Ni(II) ions, based on crystalline structure and thermal properties. Through crystallographic analysis, we reveal that Ni(II)(L-threoninato)2(H2O)2...

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Bibliographic Details
Published in:	Journal of solid state chemistry Vol. 331; p. 124502
Main Authors:	Macedo, Arilton R.S., Castro, Rosane de P., Melo, Ezequiel B., Rodrigues, Jéssica A.O., dos Santos, Adenilson O., Sabino, José R., Sinfrônio, Francisco S.M., de Menezes, Alan S.
Format:	Journal Article
Language:	English
Published:	Elsevier Inc 01-03-2024
Subjects:	Coefficient of thermal expansion Novel nickel L-threoninato complex Partial amorphization Structural evaluation Thermal characterization Novel nickel L-threoninato complex Structural evaluation Coefficient of thermal expansion Thermal characterization Partial amorphization
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Summary:	This study focuses on the synthesis and characterization of the novel Ni(II)(L-threoninato)2(H2O)2 crystal, a bivalent transition metal complex based on Ni(II) ions, based on crystalline structure and thermal properties. Through crystallographic analysis, we reveal that Ni(II)(L-threoninato)2(H2O)2 complex adopts an orthorhombic system with the C2221 space group. To gain insights into its thermal behavior, thermogravimetric analysis, and differential scanning calorimetry techniques were employed to estimate kinetic parameters related to its thermal degradation. Model-free analysis, employing Friedman, Ozawa-Flynn-Wall, and Kissinger-Akahira-Sunose methods, along with model-based analysis, were utilized to evaluate the activation energy and the logarithm of the pre-exponential factor. Furthermore, we elucidated the complex's crystalline structure thermal behavior using Powder X-ray Diffraction measurements as a function of temperature, at air and under vacuum. No phase transitions were detected at low temperatures only at high temperatures due to loss of water molecules. The measurements showed the crystal goes to a partially crystalline anhydrous phase with a certain long-range order in the [001] direction. Through Rietveld refinement the behavior of the lattice parameters and thermal expansion coefficients were obtained. This comprehensive study provides valuable knowledge about the Ni(II)(L-threoninato)2(H2O)2 crystals and lays the foundation for further exploration of similar complexes. 3D-plot of the thermal decomposition showing the TGA curve and the IR spectra of the released gases. XRD pattern showing the crystal keeps a long-range order in the [001] direction during the water loss partial amorphization. Thermal behavior of lattice parameters obtained by Rietveld refinement. [Display omitted] •Synthesis and crystal structure of the novel Ni(II)(L-threoninato)2(H2O)2 crystal.•Thermal behavior of the Ni(II)(L-threoninato)2(H2O)2 crystal by means of PXRD.•Thermal behavior and kinetic studies using TGA and DSC analysis.•Thermal expansion coefficients in air atmosphere and also under vacuum.•Partially crystalline anhydrous phase with long-range order in [001] direction.
ISSN:	0022-4596
DOI:	10.1016/j.jssc.2023.124502