Tris[4,4'-(ethene-1,2-di-yl)dipyridinium] deca-vanadate dihydrate

Area of Science:

• Inorganic Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Polyoxometalates, such as decavanadates, are versatile inorganic clusters with diverse structures and applications.
• Organic cations can influence the assembly and properties of polyoxometalate structures.
• Hydrogen bonding plays a crucial role in the self-assembly of crystalline materials.

Purpose of the Study:

• To characterize the crystal structure of a novel decavanadate compound incorporating trans-1,2-bis-(4-pyridinio)ethene cations.
• To investigate the intermolecular interactions, particularly hydrogen bonding, within the crystal lattice.
• To understand the role of the organic cation in the formation of the decavanadate structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the precise atomic arrangement.
• Analysis of the crystal structure identified the components of the asymmetric unit: decavanadate anions, pyridinium cations, and water molecules.
• Intermolecular interactions, including hydrogen bonds (Ow-H⋯O, N-H⋯O, C-H⋯O), were analyzed.

Main Results:

• The asymmetric unit contains half a decavanadate anion [V(10)O(28)], 1.5 trans-1,2-bis-(4-pyridinio)ethene cations, and one water molecule.
• Decavanadate anions and pyridinium cations are linked via an extensive three-dimensional hydrogen-bonding network.
• The hydrogen-bonding network involves vanadate oxygen atoms, pyridinium nitrogen atoms, and water molecules.

Conclusions:

• The crystal structure reveals a robust three-dimensional hydrogen-bonding network dictating the supramolecular assembly.
• The organic pyridinium cation plays a significant role in stabilizing the decavanadate framework through hydrogen bonding.
• This study contributes to the understanding of structure-property relationships in polyoxometalate-organic hybrid materials.