Poly[sodium(I)-micro(6)-hydrogen benzene-1,4-dicarboxylato]

Area of Science:

• Inorganic Chemistry
• Crystallography
• Materials Science

Background:

• Alkali metal salts of terephthalic acid are frequently used in synthesizing metal-ligand coordination complexes.
• Terephthalate anions are key components in these coordination structures.
• Understanding the structural properties of these compounds is crucial for developing new materials.

Purpose of the Study:

• To elucidate the crystal structure of sodium hydrogen terephthalate.
• To investigate the coordination environment and hydrogen bonding within the compound.
• To compare its structure with known potassium derivatives.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the structure.
• The crystal structure was analyzed for cation-anion coordination and hydrogen bond characteristics.
• Disorder in atomic positions was identified and characterized.

Main Results:

• The title compound, sodium hydrogen terephthalate [Na(C(8)H(5)O(4))](n), was structurally characterized.
• The structure features octahedral coordination of sodium cations to bridging terephthalate anions.
• Short O-H.O hydrogen bonds (2.4734 Å) were observed between terephthalate anions, similar to potassium analogs.
• The crystal structure is centrosymmetric and displays disorder in the hydrogen atom of the hydrogen bond and in the non-bridging carbon atoms of the terephthalate ion.

Conclusions:

• Sodium hydrogen terephthalate forms a robust coordination network with significant hydrogen bonding.
• The observed structural disorder provides insights into the dynamic nature of terephthalate anions in crystalline solids.
• The findings contribute to the understanding of alkali metal terephthalate structures and their potential applications.