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Updated: Jun 5, 2026

Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange
Published on: June 23, 2023
Diaqua-bis(4-formyl-benzoato-κO)zinc(II)
Abstract:
The Zn(II) atom in the title compound, [Zn(C(8)H(5)O(3))(2)(H(2)O)(2)], which lies on a twofold rotation axis, is coordinated by two monodentate carboxyl-ate groups and two water mol-ecules in a tetra-hedral geometry; the geometry is distorted towards octa-hedral owing to two long Zn⋯O(carbon-yl) contacts [2.512 (2) Å]. Hydrogen-bonding inter-actions give rise to a three-dimensional network. The formyl group is disordered approximately equally over two positions.
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Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...