Poly[μ-aqua-μ5-[2-(2,3,6-tri-chloro-phenyl)acetato]-caesium]

Area of Science:

• Crystal engineering
• Coordination chemistry
• Materials science

Background:

• Fenac (2,3,6-trichlorophenylacetic acid) is a commercial herbicide.
• Understanding the coordination chemistry of metal salts of organic acids is crucial for materials design.

Purpose of the Study:

• To elucidate the crystal structure of the caesium salt of fenac.
• To investigate the coordination environment of caesium ions and the resulting supramolecular architecture.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the structure.
• Analysis of coordination modes and intermolecular interactions (hydrogen bonding).

Main Results:

• The caesium salt, [Cs(C8H4Cl3O2)(H2O)]n, forms a two-dimensional polymer.
• Caesium ions exhibit irregular eight-coordination involving carboxylate oxygen and a ring-substituted chlorine atom.
• A bidentate O:Cl-chelate interaction and triple-bridging carboxylate oxygen atoms were observed.
• Water molecules act as bridging ligands.
• Intermolecular hydrogen bonding between water and carboxylate groups stabilizes the structure.

Conclusions:

• The study reveals a novel two-dimensional polymeric structure for the caesium salt of fenac.
• The coordination chemistry of caesium ions dictates the formation of this extended network.
• The findings contribute to the understanding of metal-organic frameworks and coordination polymers.