Dipotassium naphthalene-1,8-dicarboxylate-potassium bicarbonate

Area of Science:

• Crystal engineering and solid-state chemistry.
• Coordination chemistry of alkali metals.
• Supramolecular chemistry.

Background:

• Naphthalene dicarboxylates are versatile ligands in coordination chemistry.
• Understanding the crystallization behavior of organic salts is crucial for materials science.
• Bicarbonate anions can influence crystal packing and hydrogen bonding networks.

Purpose of the Study:

• To determine the crystal structure of tripotassium naphthalene-1,8-dicarboxylate bicarbonate.
• To analyze the hydrogen bonding and coordination environment within the crystal lattice.
• To compare the structural features with related naphthalene tetracarboxylate compounds.

Main Methods:

• Single-crystal X-ray diffraction analysis.
• Crystallographic data collection and structure refinement.
• Analysis of hydrogen bonding and coordination geometry.

Main Results:

• The compound crystallizes in the centrosymmetric space group Pbca.
• A single ordered hydrogen bond (O---H...O distance of 2.651 Å) was identified.
• Significant intermolecular C-H---O interactions (C---O distance of 3.480 Å) were observed.
• Potassium ions are coordinated by irregular polyhedra of oxygen atoms (coordination numbers 8, 8, and 5).

Conclusions:

• The crystal structure reveals an ordered hydrogen bonding network and significant intermolecular interactions.
• The coordination environment around potassium ions is complex and irregular.
• Structural comparisons highlight differences in packing and coordination compared to tetrapotassium naphthalene-1,4,5,8-tetracarboxylate hexahydrate.