A new 3D Ba(II) coordination polymer based on 3-(3-carboxyphenyl)-isonicotinic acid: structural studies and its catalytic role in benzylic alcohol oxidation
Elsevier
A novel 3D Ba(II) coordination polymer derived from 3-(3-carboxyphenyl)isonicotinic acid (H₂L), abbreviated as [Ba(L)(H₂O)₃]ₙ, was synthesized via a one-pot reaction in an ethanol/H₂O/DMF mixture (v/v/v = 4:2:1). The composition and purity of the polymer were confirmed using elemental analysis (EA), IR spectroscopy, UV/vis spectroscopy, powder X-ray diffraction (PXRD), and thermogravimetric analysis (TGA). Single-crystal X-ray diffraction revealed that the complex crystallizes in the monoclinic system with space group P121/c1, revealing that the Ba(II) center is nine-coordinated, with four oxygen atoms from three individual L ligands, one nitrogen atom from a single L ligand, and four oxygen atoms from coordinated water molecules. The HOMO-LUMO orbital distribution indicates an energy gap of 0.080972 Ha (2.441 eV). The electrostatic potential shows that regions of higher potential are mainly concentrated in the six-membered aromatic rings, while lower-potential regions are found near oxygen and nitrogen donor atoms. Furthermore, the Ba(II) coordination polymer exhibits promising catalytic activity, achieving a 66.3% conversion of benzyl alcohol and a 46.4% yield of benzaldehyde under 5 bar O₂ for a duration 2 h in THF.
The traditional strategies to improve the catalytic performance of metal complexes mainly focus on the selection of ligands and central metal ions.
A novel 3D Ba(II) coordination polymer derived from 3-(3-carboxyphenyl)isonicotinic acid (H₂L), abbreviated as [Ba(L)(H₂O)₃]ₙ, was synthesized via a one-pot…
In this work, a new Co(II) complex, abbreviated as [Co(L)(bipy)(H2O)2]n (1) was prepared using cobalt(II) acetate tetrahydrate, 2-((2’-carboxybenzyl)oxy)benzoic acid…