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Related Experiment Video

Updated: May 24, 2026

Synthesis of Triazole and Tetrazole-Functionalized Zr-Based Metal-Organic Frameworks Through Post-Synthetic Ligand Exchange

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Triaqua-chlorido(18-crown-6)barium chloride.

¹Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|March 14, 2012

Summary

This study characterizes a new barium chloride complex with 18-crown-6. The barium ion is ten-coordinate, forming a 2D network via hydrogen bonds in the crystal structure.

Area of Science:

Coordination Chemistry
Crystal Engineering
Supramolecular Chemistry

Background:

Barium complexes with macrocyclic ligands are of interest for their diverse structures and potential applications.
18-crown-6 is a well-known macrocyclic polyether capable of coordinating various metal ions.

Purpose of the Study:

To synthesize and characterize a novel barium chloride complex incorporating 18-crown-6.
To elucidate the coordination environment of the barium ion and the crystal packing.

Main Methods:

Single-crystal X-ray diffraction was used to determine the molecular and crystal structure.
Infrared spectroscopy was employed for characterization.

Main Results:

The title compound, [BaCl(C(12)H(24)O(6))(H(2)O)(3)]Cl, was synthesized and characterized.

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The barium ion (Ba(II)) is ten-coordinate, bonded to one chloride anion, three water molecules, and six oxygen atoms from the 18-crown-6 ligand.

The 18-crown-6 ligand adopts a conformation with approximate D(3d) symmetry.

The crystal structure features a two-dimensional network formed by O-H⋯Cl hydrogen bonds between complex cations and free chloride anions, along with an intramolecular O-H⋯Cl hydrogen bond.

Conclusions:

The study provides detailed structural insights into a novel barium-18-crown-6 complex.
The hydrogen bonding interactions play a crucial role in the self-assembly of the crystal structure.
This work contributes to the understanding of coordination chemistry involving alkaline earth metals and macrocyclic ligands.