Síntese e estudo de polímeros de coordenação para adsorção de gases

Abstract

This work shows the synthesis and study of gas adsorption of coordination polymers. The compounds were synthetized by the combination of the ligand INH with one of the ligands H2BDC, H3BTC and H4BTC coordinated to Co2+, Zn2+ and Mn2+ ions, being seven compounds overall. The compounds Zn-H2BDC and Mn-H2BDC were formed as molecular complexes by the ligands INH and H2BDC coordinated to Zn2+ and Mn2+ ions, being characterized by spectroscopy techniques such as IR and Raman, elemental analysis (CHN), thermogravimetric analysis (TGA and DrTGA) and by single crystal X ray diffraction. The compounds showed several intermolecular interactions and a rich supramolecular chemistry. Besides the mentioned compounds, five other compounds were formed as coordination polymers. The compounds CoH2BDC, Zn-H3BTC and Co-H3BTC formed as coordination polymers with the possibility to be used in the gas adsorption. The compound Co-H2BDC was formed by the ligands INH and H2BDC with Co2+ ion forming a 2D polycatenated coordination polymer and the compound Zn-H3BTC was formed by the ligands INH and H3BTC with Zn2+ forming a 1D coordination polymer. Both compounds were characterized by spectroscopy techniques as IR and Raman, elemental analysis (CHN), by single crystal X ray diffraction and by polycrystals X ray diffraction, this last one applying temperature variation, by theoretical calculation using computational models and by B. E. T. gas adsorption methodology. It was verified that in the compound Co-H2BDC was formed pores in the axis c direction, but the pores does not have enough size to stabilize N2 gas molecule inside it. Additionally, in the theoretical calculations was confirmed the higher stability of Li-doped structure than the non Li-doped structure and further its magnetization. In the compound Zn-H3BTC was verified that its structure did not keep the crystallinity with increasing in temperature, but it did not decomposes in the experimental temperature to gas adsorption experiment. This compound showed gas adsorption properties in multilayers. The compound Co-H3BTC was formed by the ligands INH and H3BTC coordinated to the Co2+ forming a 2D coordination polymer that piles up in reverse way and in pairs. This configuration formed a lamellar structure and it was characterized by spectroscopy techniques as IR and Raman, elemental analysis (CHN), thermogravimetric analysis (TGA and DrTGA) and by X ray diffraction by single crystal. The compounds Co-H4BTC and Zn-H4BTC showed as 3D and 1D coordination polymers composed by INH and H4BTC ligands coordinated to the

Co2+ and Zn2+ ions respectively. Both compounds were characterized by spectroscopy techniques such as IR and Raman, elemental analysis (CHN), by single crystal X ray diffraction.