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Supramolecular coordination assemblies of 1,2,3-hexamethylcucurbit[5]uril with alkali metal ions based on the outer-surface interactions of cucurbit[n]urils

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Abstract Alkali cations (A+ = Na+, K+, Rb+, Cs+) were coordinated with 1,2,3-hexamethylcucurbit[5]uril (1,2,3-HMeQ[5]) using different structure directing agents. Single crystal X-ray diffraction revealed the formation of heterometallic molecular capsule-like complexes in… Click to show full abstract

Abstract Alkali cations (A+ = Na+, K+, Rb+, Cs+) were coordinated with 1,2,3-hexamethylcucurbit[5]uril (1,2,3-HMeQ[5]) using different structure directing agents. Single crystal X-ray diffraction revealed the formation of heterometallic molecular capsule-like complexes in the presence of [CdCl4]2− anions as a structure directing agent. One portal of the 1,2,3-HMeQ[5] molecule is covered by a Cd2+ cation, while the other portal is covered by a A+ cation, and a chloride anion occupies the cavity of the Q[5] molecule. In contrast, in the presence of p-nitrophenol, a molecular bowl-like complex is formed, in which only one portal is covered by an A+ cation, and a water molecule occupies the cavity of the Q[5] molecule. The comparative study of these complexes suggest that the structure directing agents play important roles in the self-assembly of coordination complexes.

Keywords: supramolecular coordination; hexamethylcucurbit uril; structure directing; structure; molecule

Journal Title: Journal of Molecular Structure
Year Published: 2019

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