catena-Poly[[[triaquazinc(II)]-micro-2-nitroterephthalato-kappaO1:kappa2O4,O4'] monohydrate]

Area of Science:

• Coordination Chemistry
• Crystal Engineering
• Materials Science

Background:

• Metal-organic frameworks (MOFs) and coordination polymers are crucial in materials science.
• Understanding the self-assembly and structural motifs of these materials is key to designing new functional materials.
• The 2-nitroterephthalate ligand offers versatile coordination possibilities.

Purpose of the Study:

• To synthesize and characterize a novel zinc coordination complex.
• To elucidate the crystal structure and supramolecular assembly of the {[Zn(C(8)H(3)NO(6))(H(2)O)(3)].H(2)O}(n) complex.
• To investigate the role of the 2-nitroterephthalate ligand and water molecules in the structural framework.

Main Methods:

• Single-crystal X-ray diffraction to determine the molecular and crystal structure.
• Infrared (IR) spectroscopy for vibrational analysis.
• Powder X-ray diffraction (PXRD) for phase purity and structural confirmation.

Main Results:

• The complex {[Zn(C(8)H(3)NO(6))(H(2)O)(3)].H(2)O}(n) was successfully synthesized.
• A one-dimensional (1D) chain structure was observed, featuring a distorted octahedral zinc center coordinated by carboxylate groups and water molecules.
• The dianionic 2-nitroterephthalate ligand exhibited both mono- and bidentate chelating modes.
• Inter-chain hydrogen bonding led to the formation of 2D layers, which were further assembled into a 3D structure via inter-layer hydrogen bonds.

Conclusions:

• The study successfully characterized a novel 1D zinc coordination polymer with a unique structural architecture.
• The hydrogen bonding interactions play a critical role in the hierarchical self-assembly from 1D chains to 2D layers and a 3D framework.
• This work contributes to the understanding of structure-property relationships in coordination polymers based on nitroterephthalate ligands.