Back to Search
Start Over
Ibuprofen as linker for calcium(II) in a 1D-coordination polymer: A solid state investigation complemented with solution studies
- Source :
- Inorganica Chimica Acta (Testo stamp.) 523 (2021): 120319-1–120319-11. doi:10.1016/j.ica.2021.120319, info:cnr-pdr/source/autori:Morais Missina J.; Conti L.; Rossi P.; Ienco A.; Gioppo Nunes G.; Valtancoli B.; Chelazzi L.; Paoli P./titolo:Ibuprofen as linker for calcium(II) in a 1D-coordination polymer: A solid state investigation complemented with solution studies/doi:10.1016%2Fj.ica.2021.120319/rivista:Inorganica Chimica Acta (Testo stamp.)/anno:2021/pagina_da:120319-1/pagina_a:120319-11/intervallo_pagine:120319-1–120319-11/volume:523
- Publication Year :
- 2021
- Publisher :
- Elsevier BV, 2021.
-
Abstract
- The ibuprofen alkaline-earth compounds Ibuprofen-Mg and Ibuprofen-Ca were investigated by using combined solid state and solution studies. The molecular and crystal structures of the calcium (Ca_Ibu_Hy, a 1D-coordination polymer based on ibuprofen) and magnesium (Mg_Ibu_Hy_RT and Mg_Ibu_Hy_LT) ibuprofen dihydrate salts have been analyzed in depth by using X-ray diffraction (both single crystal and powder) and in-silico tools. Differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), variable temperature X-ray diffraction experiments were carried out to study the stability of the solid forms under different temperature conditions. The Mg_Ibu_Hy_LT → Mg_Ibu_Hy_RT transition, which occurs between 250 and 300 K, is fully reversible and consists of a mild rearrangement of the crystal structure. Upon raising the temperature, dehydration of the Mg_Ibu_Hy_RT phase occurs, which leads to a completely amorphous phase at T > 340 K. As a consequence, the RT phase of the MgII compound is stable in a quite narrow temperature range. The calcium salt, in turn, gives a partially crystalline anhydrous phase with rising temperature. The coordination behavior of ibuprofen towards MgII, CaII and SrII in a water–ethanol mixture has been studied by means of potentiometric titrations. Based on the almost identical formation constants for CaII- and MgII-Ibuprofen complexes and on the well-known great affinity of MgII-for water molecules, we speculated the formation of solvent-shared ion pairs in the latter case, where the MgII-carboxylate interaction is of the outer-sphere type.
- Subjects :
- Calcium
Crystal structure
Ibuprofen
Solid form behavior
Stability constants
010405 organic chemistry
Coordination polymer
Magnesium
chemistry.chemical_element
Atmospheric temperature range
010402 general chemistry
01 natural sciences
0104 chemical sciences
Inorganic Chemistry
Crystallography
chemistry.chemical_compound
Differential scanning calorimetry
chemistry
Stability constants of complexes
Phase (matter)
Materials Chemistry
Physical and Theoretical Chemistry
Single crystal
Subjects
Details
- ISSN :
- 00201693
- Volume :
- 523
- Database :
- OpenAIRE
- Journal :
- Inorganica Chimica Acta
- Accession number :
- edsair.doi.dedup.....1c0de4d48910c6310c27846eb781121f