Poly[(μ(3)-hydrogenphosphato)(4H-1,2,4-triazole-κN(1))zinc]

Area of Science:

• Inorganic Chemistry
• Materials Science
• Crystallography

Background:

• Metal-organic frameworks (MOFs) and coordination polymers exhibit diverse structures and properties.
• Hybrid organic-inorganic materials offer tunable characteristics for various applications.
• Understanding the self-assembly of inorganic anions and organic ligands is crucial for designing novel materials.

Purpose of the Study:

• To synthesize and characterize a novel hybrid coordination compound containing zinc, phosphate, and 1,2,4-triazole.
• To elucidate the crystal structure and supramolecular assembly of the title compound.
• To investigate the role of hydrogen bonding in the formation of the 3D network.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• The asymmetric unit was analyzed to understand the coordination environment of the zinc cation.
• Hydrogen bonding interactions (N-H⋯O and O-H⋯O) were identified and analyzed.

Main Results:

• The crystal structure of [Zn(HPO(4))(C(2)H(3)N(3))](n) was determined, revealing a tetrahedral coordination geometry for Zn(2+).
• The compound features corrugated organic-inorganic layers parallel to the ac plane, formed by phosphate anions and zinc cations.
• A 3D network is established through stacking of these layers and extensive hydrogen bonding between phosphate and triazole groups.

Conclusions:

• The synthesized compound represents a novel hybrid material with a layered structure.
• The 3D network structure is stabilized by a combination of coordination bonds and hydrogen bonding.
• This work contributes to the understanding of structure-property relationships in hybrid inorganic-organic materials.